1-(ethenoxymethyl)-3-methylcyclohexene

C10H16O — CID 102248116

IUPAC1-(ethenoxymethyl)-3-methylcyclohexene
SMILESC=COCC1=CC(C)CCC1
InChIInChI=1S/C10H16O/c1-3-11-8-10-6-4-5-9(2)7-10/h3,7,9H,1,4-6,8H2,2H3
InChIKeyXBVZAHJDGDZLLH-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.89
Rot. Bonds3

About 1-(ethenoxymethyl)-3-methylcyclohexene

1-(ethenoxymethyl)-3-methylcyclohexene (PubChem CID 102248116) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-(ethenoxymethyl)-3-methylcyclohexene.

Molecular Properties

Compound Name1-(ethenoxymethyl)-3-methylcyclohexene
PubChem CID102248116
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name1-(ethenoxymethyl)-3-methylcyclohexene
SMILESC=COCC1=CC(C)CCC1
InChIInChI=1S/C10H16O/c1-3-11-8-10-6-4-5-9(2)7-10/h3,7,9H,1,4-6,8H2,2H3
InChIKeyXBVZAHJDGDZLLH-UHFFFAOYSA-N
XLogP2.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(ethenoxymethyl)-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

4,6-bis(ethenoxymethyl)-2-methyl-1,2-dihydronaphthalene
CID 146181531
2-[(1E,3R)-3-methylcyclopentadecen-1-yl]acetic acid
CID 87572402
1-ethyl-3-methylcyclopentene;methane
CID 161172623
cyclohexylbenzene;ethenoxymethylbenzene
CID 161044898
ethane;ethenoxymethylbenzene
CID 144676673
1-(2-ethenoxyethyl)-7-methyl-4,5,6,7-tetrahydroindole
CID 122210753
3-chloro-1-(propoxymethyl)cyclohexene
CID 79568789
1,5-dimethyl-2-prop-2-enylcycloocta-1,3-diene
CID 91142850
5-cyclohexyl-3-(ethenoxymethyl)-2-(3-methylcyclohex-2-en-1-yl)phenol
CID 177218838
ethenoxymethylbenzene
CID 11116115
(3S)-1-ethenyl-3-(methoxymethoxy)cyclohexene
CID 100956681
1-(3-methylcyclohexen-1-yl)ethanone
CID 12567210

Frequently Asked Questions

What is the IUPAC name of 1-(ethenoxymethyl)-3-methylcyclohexene?
The IUPAC name of 1-(ethenoxymethyl)-3-methylcyclohexene (CID 102248116) is 1-(ethenoxymethyl)-3-methylcyclohexene.
What is the SMILES notation for 1-(ethenoxymethyl)-3-methylcyclohexene?
The canonical SMILES for 1-(ethenoxymethyl)-3-methylcyclohexene is C=COCC1=CC(C)CCC1.
What is the InChIKey of 1-(ethenoxymethyl)-3-methylcyclohexene?
The InChIKey is XBVZAHJDGDZLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-3-11-8-10-6-4-5-9(2)7-10/h3,7,9H,1,4-6,8H2,2H3.
What are the key properties of 1-(ethenoxymethyl)-3-methylcyclohexene?
1-(ethenoxymethyl)-3-methylcyclohexene has a molecular weight of 152.24 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethenoxymethyl)-3-methylcyclohexene is sourced from PubChem (CID 102248116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).