5-methoxy-3-methylcyclohexene

C8H14O — CID 14113148

IUPAC5-methoxy-3-methylcyclohexene
SMILESCOC1CC=CC(C)C1
InChIInChI=1S/C8H14O/c1-7-4-3-5-8(6-7)9-2/h3-4,7-8H,5-6H2,1-2H3
InChIKeyVVJOSXGKENQNIT-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.99
Rot. Bonds1

About 5-methoxy-3-methylcyclohexene

5-methoxy-3-methylcyclohexene (PubChem CID 14113148) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 5-methoxy-3-methylcyclohexene.

Molecular Properties

Compound Name5-methoxy-3-methylcyclohexene
PubChem CID14113148
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name5-methoxy-3-methylcyclohexene
SMILESCOC1CC=CC(C)C1
InChIInChI=1S/C8H14O/c1-7-4-3-5-8(6-7)9-2/h3-4,7-8H,5-6H2,1-2H3
InChIKeyVVJOSXGKENQNIT-UHFFFAOYSA-N
XLogP1.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-methoxy-3-methylcyclohexene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cyclohexene, 4-methoxy-
CID 139975
4-(Methoxymethyl)cyclohexene
CID 22507470
3-(Methoxymethyl)cyclohex-1-ene
CID 12450318
(1S,2S)-2-methylcyclohex-3-en-1-ol
CID 12882503
3-Methyl-2-(2-methylpropyl)-2,3,6,7-tetrahydrooxepine
CID 16759060
6-Ethenyl-4-fluoro-5-methoxy-1-methylcyclohexene
CID 66806771
(Z)-5-(2-fluoroethoxy)-7-methyloct-2-ene
CID 167082359
(1R,2R)-2-methylcyclohex-3-en-1-ol
CID 12882501
7-Methoxybicyclo-[2.2.1]hepta-2,5-diene
CID 14249387
4-Ethyl-4-methoxycyclohexene
CID 86182451
(4S)-4-methoxy-4-prop-2-enylcyclohexene
CID 101200197
4-Ethenoxy-6-methylhept-1-ene
CID 101377740

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methylcyclohexene?
The IUPAC name of 5-methoxy-3-methylcyclohexene (CID 14113148) is 5-methoxy-3-methylcyclohexene.
What is the SMILES notation for 5-methoxy-3-methylcyclohexene?
The canonical SMILES for 5-methoxy-3-methylcyclohexene is COC1CC=CC(C)C1.
What is the InChIKey of 5-methoxy-3-methylcyclohexene?
The InChIKey is VVJOSXGKENQNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-7-4-3-5-8(6-7)9-2/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 5-methoxy-3-methylcyclohexene?
5-methoxy-3-methylcyclohexene has a molecular weight of 126.20 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methylcyclohexene is sourced from PubChem (CID 14113148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).