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

2-Cyclohexene-1-methanol, 4-(1-methylethyl)-

HCID 564463
New noteNew reactionRequest quotes
Print preview
Basic informationOverviewNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
72687-68-4
Standard SMILES
CC(C)C1C=CC(CO)CC1
InChIKey
JWRJGMUBDGIGRT-UHFFFAOYSA-N
Molecular formula
C10H18O
Average molar mass
154.25 g/mol
Monoisotopic mass
154.13576519

Overview

2-Cyclohexene-1-methanol, 4-(1-methylethyl)- has been reported in Taxus canadensis with data available.

Names & identifiers

Preferred name
2-Cyclohexene-1-methanol, 4-(1-methylethyl)-
IUPAC
(4-propan-2-ylcyclohex-2-en-1-yl)methanol

Names & synonyms

72687-68-4DTXSID103404092-Cyclohexene-1-methanol, 4-(1-methylethyl)-RefChem:1062926DTXCID40291490p-Menth-2-en-7-ol(4-propan-2-ylcyclohex-2-en-1-yl)methanol[4-(propan-2-yl)cyclohex-2-en-1-yl]methanol(E)-p-menth-2-en-7-olSCHEMBL10895338JWRJGMUBDGIGRT-UHFFFAOYSA-N

Database identifiers

CAS
72687-68-4
PubChem CID
564463
DTXSID
DTXSID10340409
Nikkaji
J2.325.154J

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
11
Formal charge
0
Complexity
138

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