3-[1-methoxy-2-(methoxymethyl)-3-methylbutan-2-yl]cyclohexene

C14H26O2 — CID 139751329

IUPAC3-[1-methoxy-2-(methoxymethyl)-3-methylbutan-2-yl]cyclohexene
SMILESCOCC(COC)(C(C)C)C1C=CCCC1
InChIInChI=1S/C14H26O2/c1-12(2)14(10-15-3,11-16-4)13-8-6-5-7-9-13/h6,8,12-13H,5,7,9-11H2,1-4H3
InChIKeyXWBNPHIONFINFR-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.28
Rot. Bonds6

About 3-[1-methoxy-2-(methoxymethyl)-3-methylbutan-2-yl]cyclohexene

3-[1-methoxy-2-(methoxymethyl)-3-methylbutan-2-yl]cyclohexene (PubChem CID 139751329) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-[1-methoxy-2-(methoxymethyl)-3-methylbutan-2-yl]cyclohexene.

Molecular Properties

Compound Name3-[1-methoxy-2-(methoxymethyl)-3-methylbutan-2-yl]cyclohexene
PubChem CID139751329
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name3-[1-methoxy-2-(methoxymethyl)-3-methylbutan-2-yl]cyclohexene
SMILESCOCC(COC)(C(C)C)C1C=CCCC1
InChIInChI=1S/C14H26O2/c1-12(2)14(10-15-3,11-16-4)13-8-6-5-7-9-13/h6,8,12-13H,5,7,9-11H2,1-4H3
InChIKeyXWBNPHIONFINFR-UHFFFAOYSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[1-methoxy-2-(methoxymethyl)-3-methylbutan-2-yl]cyclohexene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-methoxy-2-(methoxymethyl)-3-methylbutan-2-yl]cyclohexene?
The IUPAC name of 3-[1-methoxy-2-(methoxymethyl)-3-methylbutan-2-yl]cyclohexene (CID 139751329) is 3-[1-methoxy-2-(methoxymethyl)-3-methylbutan-2-yl]cyclohexene.
What is the SMILES notation for 3-[1-methoxy-2-(methoxymethyl)-3-methylbutan-2-yl]cyclohexene?
The canonical SMILES for 3-[1-methoxy-2-(methoxymethyl)-3-methylbutan-2-yl]cyclohexene is COCC(COC)(C(C)C)C1C=CCCC1.
What is the InChIKey of 3-[1-methoxy-2-(methoxymethyl)-3-methylbutan-2-yl]cyclohexene?
The InChIKey is XWBNPHIONFINFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-12(2)14(10-15-3,11-16-4)13-8-6-5-7-9-13/h6,8,12-13H,5,7,9-11H2,1-4H3.
What are the key properties of 3-[1-methoxy-2-(methoxymethyl)-3-methylbutan-2-yl]cyclohexene?
3-[1-methoxy-2-(methoxymethyl)-3-methylbutan-2-yl]cyclohexene has a molecular weight of 226.36 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-methoxy-2-(methoxymethyl)-3-methylbutan-2-yl]cyclohexene is sourced from PubChem (CID 139751329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).