2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-(oxolan-3-yl)ethanone

C14H22O3 — CID 104751926

IUPAC2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-(oxolan-3-yl)ethanone
SMILESCC1CC=CCC1COCC(=O)C1CCOC1
InChIInChI=1S/C14H22O3/c1-11-4-2-3-5-12(11)8-17-10-14(15)13-6-7-16-9-13/h2-3,11-13H,4-10H2,1H3
InChIKeyRYKIYBDOAIOUOB-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.21
Rot. Bonds5

About 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-(oxolan-3-yl)ethanone

2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-(oxolan-3-yl)ethanone (PubChem CID 104751926) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-(oxolan-3-yl)ethanone
PubChem CID104751926
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-(oxolan-3-yl)ethanone
SMILESCC1CC=CCC1COCC(=O)C1CCOC1
InChIInChI=1S/C14H22O3/c1-11-4-2-3-5-12(11)8-17-10-14(15)13-6-7-16-9-13/h2-3,11-13H,4-10H2,1H3
InChIKeyRYKIYBDOAIOUOB-UHFFFAOYSA-N
XLogP2.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-(oxolan-3-yl)ethanone 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

1-[(6-Methylcyclohex-3-en-1-yl)methoxy]pentan-2-one
CID 62044489
Ethyl 4-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-oxobutanoate
CID 63893049
3-Methyl-1-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-2-one
CID 80447543
1-(Oxolan-3-yl)-2-pent-4-enoxyethanone
CID 104752144
4-But-3-en-2-yl-2,2-dimethyloxolan-3-one
CID 130674138
4-[(E)-but-2-enyl]-2,2-dimethyloxolan-3-one
CID 131247454

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-(oxolan-3-yl)ethanone (CID 104751926) is 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-(oxolan-3-yl)ethanone is CC1CC=CCC1COCC(=O)C1CCOC1.
What is the InChIKey of 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-(oxolan-3-yl)ethanone?
The InChIKey is RYKIYBDOAIOUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-11-4-2-3-5-12(11)8-17-10-14(15)13-6-7-16-9-13/h2-3,11-13H,4-10H2,1H3.
What are the key properties of 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-(oxolan-3-yl)ethanone?
2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-(oxolan-3-yl)ethanone has a molecular weight of 238.33 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 104751926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).