Name: 6-Methoxy-2-heptanonaphthone
SKU: 53526-25-3

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Basic Information

Molecular Structure:
CAS No.:	53526-25-3
Name:	6-Methoxy-2-heptanonaphthone

Formula:	C₁₈H₂₂O₂
Molecular Weight:	270.371
Synonyms:	2'-Heptanonaphthone,6'-methoxy- (6CI,7CI);1-(6-Methoxynaphthalen-2-yl)heptan-1-one;6-n-Heptanoyl-2-methoxynaphthalene;
Density:	1.033 g/cm³
Melting Point:	68-69 °C(Solv: ligroine (8032-32-4))
Boiling Point:	408.93 °C at 760 mmHg
Flash Point:	172.176 °C
PSA:	26.30000
LogP:	5.00150

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Specification

The 6-Methoxy-2-heptanonaphthone, with the CAS registry number 53526-25-3, is also known as 1-Heptanone, 1-(6-methoxy-2-naphthalenyl)-. This chemical's molecular formula is C₁₈H₂₂O₂ and molecular weight is 270.37. Its systematic name is called 1-(6-methoxynaphthalen-2-yl)heptan-1-one.

Physical properties of 6-Methoxy-2-heptanonaphthone: (1)ACD/LogP: 5.40; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 8424; (6)ACD/BCF (pH 7.4): 8424; (7)ACD/KOC (pH 5.5): 22463; (8)ACD/KOC (pH 7.4): 22463; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 7; (11)Index of Refraction: 1.555; (12)Molar Refractivity: 83.966 cm³; (13)Molar Volume: 261.616 cm³; (14)Surface Tension: 38.55 dyne/cm; (15)Density: 1.033 g/cm³; (16)Flash Point: 172.176 °C; (17)Enthalpy of Vaporization: 66.103 kJ/mol; (18)Boiling Point: 408.93 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc2c(c1)ccc(OC)c2)CCCCCC
(2)InChI: InChI=1/C18H22O2/c1-3-4-5-6-7-18(19)16-9-8-15-13-17(20-2)11-10-14(15)12-16/h8-13H,3-7H2,1-2H3
(3)InChIKey: AHVTYNUOGDMEKA-UHFFFAOYAS