Name: (1S,4aS,8aS)-Decahydro-5,5,8a-trimethyl-2-methylene-1-naphthaleneacetaldehyde
SKU: 3243-36-5

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Basic Information

Molecular Structure:
CAS No.:	3243-36-5
Name:	(1S,4aS,8aS)-Decahydro-5,5,8a-trimethyl-2-methylene-1-naphthaleneacetaldehyde
Article Data:	3

Formula:	C₁₆H₂₆O
Molecular Weight:	234.382
Synonyms:	1-Naphthaleneacetaldehyde,decahydro-5,5,8a-trimethyl-2-methylene- (6CI,7CI,8CI);1-Naphthaleneacetaldehyde, decahydro-5,5,8a-trimethyl-2-methylene-, [1S-(1a,4ab,8aa)]-;13,14,15,16-Tetranorlabd 8(17)-en-12-al;Ambrial;g-Bicyclohomofarnesal;
EINECS:	226-806-4
Density:	0.941 g/cm³
Boiling Point:	307.329 °C at 760 mmHg
Flash Point:	144.917 °C
PSA:	17.07000
LogP:	4.37420

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Specification

The CAS register number of Bicyclohomofarnesal is 3243-36-5. It also can be called as 1-Naphthaleneacetaldehyde,decahydro-5,5,8a-trimethyl-2-methylene-, (1S,4aS,8aS)- and the systematic name about this chemical is [(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]acetaldehyde. The molecular formula about this chemical is C₁₆H₂₆O and the molecular weight is 234.38.

Physical properties about Bicyclohomofarnesal are: (1)ACD/LogP: 5.27; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6; (4)ACD/LogD (pH 7.4): 6; (5)ACD/BCF (pH 5.5): 12534; (6)ACD/BCF (pH 7.4): 12534; (7)ACD/KOC (pH 5.5): 29854; (8)ACD/KOC (pH 7.4): 29854; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 17.07Å²; (12)Index of Refraction: 1.489; (13)Molar Refractivity: 71.898 cm³; (14)Molar Volume: 249.195 cm³; (15)Polarizability: 28.503x10^-24cm³; (16)Surface Tension: 32.44 dyne/cm; (17)Enthalpy of Vaporization: 54.792 kJ/mol; (18)Boiling Point: 307.329 °C at 760 mmHg; (19)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=CC[C@H]2C(=C)\CC[C@@H]1[C@@]2(CCCC1(C)C)C
(2)InChI: InChI=1/C16H26O/c1-12-6-7-14-15(2,3)9-5-10-16(14,4)13(12)8-11-17/h11,13-14H,1,5-10H2,2-4H3/t13-,14-,16+/m0/s1
(3)InChIKey: BFWKKBSHTOEBHL-OFQRWUPVBM
(4)Std. InChI: InChI=1S/C16H26O/c1-12-6-7-14-15(2,3)9-5-10-16(14,4)13(12)8-11-17/h11,13-14H,1,5-10H2,2-4H3/t13-,14-,16+/m0/s1
(5)Std. InChIKey: BFWKKBSHTOEBHL-OFQRWUPVSA-N