CAS 15323-35-0|1-(1,1,2,3,3,6-Hexamethyl-2,3-dihydro-1H-inden-5-yl)ethan-1-one|1-(1,1,2,3,3,6-hexamethyl-2,3-dihydro-1H-inden-5-yl)ethanone|1-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)ethanone|1-(1,1,2,...

General Information

Structure

Molecular Formula

C₁₇H₂₄O

Molecular Mass

244.37186

Exact Mass

244.18271539

Charge

InChI

InChI=1S/C17H24O/c1-10-8-14-15(9-13(10)11(2)18)17(6,7)12(3)16(14,4)5/h8-9,12H,1-7H3

InChIKey

VDBHOHJWUDKDRW-UHFFFAOYSA-N

Canonic Smiles

CC1C(C)(C)c2c(C1(C)C)cc(c(c2)C)C(=O)C

Isomeric Smiles

c12c(C(C(C1(C)C)C)(C)C)cc(c(c2)C(=O)C)C

Calculated Properties

JChem

Acid pKa

16.29641

H Acceptors

H Donor

LogD (pH = 5.5)

4.5131516

LogD (pH = 7.4)

4.5131516

Log P

4.5131516

Molar Refractivity

76.9792

Polarizability

29.704546

Polar Surface Area

17.07

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

1-(1,1,2,3,3,6-Hexamethyl-2,3-dihydro-1H-inden-5-yl)ethan-1-one1-(1,1,2,3,3,6-hexamethyl-2,3-dihydro-1H-inden-5-yl)ethanoneAHDIAHMI6-Acetyl-1,1,2,3,3,5-hexamethylindane1-(2,3-Dihydro-1,1,2,3,3,6-hexamethyl-1H-inden-5-yl)ethanoneNSC 168271,1,2,3,3,6-Hexamethyl-5-indanyl methyl KetonePhantolideMusk phantolidPhantolid6-Acetyl-1,1,2,3,3,5-hexamethylindan

IUPAC Traditional name

1-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)ethanone

IUPAC name

1-(1,1,2,3,3,6-hexamethyl-2,3-dihydro-1H-inden-5-yl)ethan-1-one

Names and Identifiers

Registration numbers

MDL Number

MFCD00451399

CAS Number

15323-35-0

PubChem SID

162031717