HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Compound

CID 22967445

HCID 22967445
New noteNew reactionRequest quotes
Print preview
Basic informationOverviewNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
199433-38-0
Standard SMILES
C=CC1CCC(/C=C/C2CCC(c3ccc(C)cc3)CC2)CC1
InChIKey
QUNBQZOJIPECLH-ZHACJKMWSA-N
Molecular formula
C23H32
Average molar mass
308.5 g/mol
Monoisotopic mass
308.25040102

Overview

See other relationships...

Names & identifiers

Preferred name
CID 22967445
IUPAC
1-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]-4-methylbenzene
English name
Benzene, 1-[trans-4-[(1E)-2-(trans-4-ethenylcyclohexyl)ethenyl]cyclohexyl]-4-methyl-
Molecular formula
C23H32
Molecular weight
308.5

Names & synonyms

199433-38-0QUNBQZOJIPECLH-OUQPOYKCSA-NQUNBQZOJIPECLH-ZHACJKMWSA-NDTXSID0011326001-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]-4-methylbenzene1-[(1r,4r)-4-{(E)-2-[(1r,4r)-4-Ethenylcyclohexyl]ethenyl}cyclohexyl]-4-methylbenzene1-[trans-4-[(1E)-2-(trans-4-Ethenylcyclohexyl)ethenyl]cyclohexyl]-4-methylbenzene1 - (4-methylphenylcyclohexyl) - 2 - (4-vinylcyclohexyl) ethyleneBenzene, 1-[trans-4-[(1E)-2-(trans-4-ethenylcyclohexyl)ethenyl]cyclohexyl]-4-methyl-

Database identifiers

CAS
199433-38-0
PubChem CID
22967445
DTXSID
DTXSID001132600
Nikkaji
J2.663.049E

Properties

Computed structural properties

XLogP
7.9
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
4
Heavy atoms
23
Formal charge
0
Complexity
369

Physicochemical properties

Boiling point
415.694 · 415.694±45.00 °C(Press: 760.00 Torr)(predicted)
Density
1.036 · 1.036±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationOverviewNames & identifiersPropertiesRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes