6-methoxy-3,3-dimethylcyclohexene

C9H16O — CID 558471

IUPAC6-methoxy-3,3-dimethylcyclohexene
SMILESCOC1C=CC(C)(C)CC1
InChIInChI=1S/C9H16O/c1-9(2)6-4-8(10-3)5-7-9/h4,6,8H,5,7H2,1-3H3
InChIKeyCVFQOTYDJSZQMQ-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.38
Rot. Bonds1

About 6-methoxy-3,3-dimethylcyclohexene

6-methoxy-3,3-dimethylcyclohexene (PubChem CID 558471) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 6-methoxy-3,3-dimethylcyclohexene.

Molecular Properties

Compound Name6-methoxy-3,3-dimethylcyclohexene
PubChem CID558471
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name6-methoxy-3,3-dimethylcyclohexene
SMILESCOC1C=CC(C)(C)CC1
InChIInChI=1S/C9H16O/c1-9(2)6-4-8(10-3)5-7-9/h4,6,8H,5,7H2,1-3H3
InChIKeyCVFQOTYDJSZQMQ-UHFFFAOYSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Edulan I
CID 521066
Cassyrane
CID 11658397
Cassyrane, (2S,5S)-
CID 91980009
Cassyrane, (2S,5R)-
CID 91980008
1-Oxaspiro(4.5)deca-3,6-diene, 2,6,10,10-tetramethyl-
CID 171338
(2S,8aR)-2,5,5,8a-tetramethyl-3,6-dihydro-2H-chromene
CID 6432427
Tert-butyl cyclohex-2-en-1-yl ether
CID 287916
Edulan II
CID 6432428
3-(Propan-2-yloxy)cyclohexene
CID 230450
1-Methoxy-6,6-dimethyl-cyclohex-2-ene
CID 558570
3-Methoxy-1,5,5-trimethylcyclohexene
CID 12233157
3-Methoxy-1,5,5-trimethylcyclopentene
CID 86130304

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3,3-dimethylcyclohexene?
The IUPAC name of 6-methoxy-3,3-dimethylcyclohexene (CID 558471) is 6-methoxy-3,3-dimethylcyclohexene.
What is the SMILES notation for 6-methoxy-3,3-dimethylcyclohexene?
The canonical SMILES for 6-methoxy-3,3-dimethylcyclohexene is COC1C=CC(C)(C)CC1.
What is the InChIKey of 6-methoxy-3,3-dimethylcyclohexene?
The InChIKey is CVFQOTYDJSZQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-9(2)6-4-8(10-3)5-7-9/h4,6,8H,5,7H2,1-3H3.
What are the key properties of 6-methoxy-3,3-dimethylcyclohexene?
6-methoxy-3,3-dimethylcyclohexene has a molecular weight of 140.23 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,3-dimethylcyclohexene is sourced from PubChem (CID 558471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).