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

Cyclohexane,1-(1,1-dimethylethyl)-3-methoxy-4-methylene-cis-

HCID 144288
New noteNew reactionRequest quotes
Print preview
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
68211-39-2
Standard SMILES
C=C1CCC(C(C)(C)C)CC1OC
InChIKey
DUVGSEXMTVWEHI-UHFFFAOYSA-N
Molecular formula
C12H22O
Average molar mass
182.3 g/mol
Monoisotopic mass
182.16706532

Names & identifiers

Preferred name
Cyclohexane,1-(1,1-dimethylethyl)-3-methoxy-4-methylene-cis-
IUPAC
4-tert-butyl-2-methoxy-1-methylidenecyclohexane

Names & synonyms

Cyclohexane,1-(1,1-dimethylethyl)-3-methoxy-4-methylene-cis-68211-39-24-tert-butyl-2-methoxy-1-methylidenecyclohexaneDTXSID10987717Cyclohexane, 1-(1,1-dimethylethyl)-3-methoxy-4-methylene-, trans-68211-40-5Cyclohexane,1-(1,1-dimethylethyl)-3-methoxy-4-methylene-trans-

Database identifiers

CAS
68211-39-2、68211-40-5
PubChem CID
144288
DTXSID
DTXSID10987717

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
13
Formal charge
0
Complexity
188

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

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