1-(5,6,7,8-Tetrahydro-3,5,5,6,8,8-Hexamethyl-2-Naphthalenyl)Ethanone

CAS: 1506-02-1 | C18H26O

Loading 3D structure...

CAS Registry Number: 1506-02-1

Molecular Formula: C18H26O

Molecular Mass: 258.41 g/mol

1-(5,6,7,8-Tetrahydro-3,5,5,6,8,8-Hexamethyl-2-Naphthalenyl)Ethanone

Ethanone, 1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)-

2′-Acetonaphthone, 5′,6′,7′,8′-tetrahydro-3′,5′,5′,6′,8′,8′-hexamethyl-

1-(5,6,7,8-Tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)ethanone

CC(=O)c1cc2c(cc1C)C(C)(C)C(C)CC2(C)C

InChI=1S/C18H26O/c1-11-8-16-15(9-14(11)13(3)19)17(4,5)10-12(2)18(16,6)7/h8-9,12H,10H2,1-7H3

NMR, IR, and Mass spectral data

1H NMR

13C NMR

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	258.41 g/mol	CAS Common Chemistry
	258.4049999999999 g/mol	RDKit
	258.198365452 g/mol	RDKit
Canonical SMILES	O=C(C=1C=C2C(=CC1C)C(C)(C)C(C)CC2(C)C)C	CAS Common Chemistry
InChI	InChI=1S/C18H26O/c1-11-8-16-15(9-14(11)13(3)19)17(4,5)10-12(2)18(16,6)7/h8-9,12H,10H2,1-7H3	CAS Common Chemistry
InChI Key	InChIKey=DNRJTBAOUJJKDY-UHFFFAOYSA-N	CAS Common Chemistry
Name	1-(5,6,7,8-Tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)ethanone	CAS Common Chemistry
Heavy Atom Count	19	RDKit
Hydrogen Bond Acceptors	1	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	1	RDKit
Aromatic Ring Count	1	RDKit
Topological Polar Surface Area	17.07 Å²	RDKit
LogP	4.792620000000005	RDKit
Molar Refractivity	81.01650000000005	RDKit