CAS 472-87-7|3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-2,4,6,8-tetraenal|Dehydroretinal|3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-2,4,6,8-tetraenal|α-retinene|Vi...

General Information

Structure

Molecular Formula

C₂₀H₂₆O

Molecular Mass

282.41984

Exact Mass

282.19836545

Charge

InChI

InChI=1S/C20H26O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6-13,15H,14H2,1-5H3

InChIKey

QHNVWXUULMZJKD-UHFFFAOYSA-N

Canonic Smiles

O=C/C=C(/C=C/C=C(/C=C/C1=C(C)C=CCC1(C)C)\C)\C

Isomeric Smiles

O=C/C=C(/C=C/C=C(/C=C/C1=C(C=CCC1(C)C)C)\C)\C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.4938297

LogD (pH = 7.4)

4.4938297

Log P

4.4938297

Molar Refractivity

97.982

Polarizability

35.562286

Polar Surface Area

17.07

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

IUPAC name

3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-2,4,6,8-tetraenal (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-2,4,6,8-tetraenal

Synonyms

DehydroretinalVitamin A2 Aldehydetrans-3-Dehydroretinal3-Dehydro RetinalDehydroretinaldehyde(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2,4,6,8-nonatetraenalRetinene 2

IUPAC Traditional name

3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-2,4,6,8-tetraenal α-retinene

Names and Identifiers

Registration numbers

Chemspider ID

PubChem CID

MeSH Name

Wikipedia Title