5-methyl-3-[(3-methylcyclohexyl)oxymethoxy]cyclohexene

C15H26O2 — CID 89300434

IUPAC5-methyl-3-[(3-methylcyclohexyl)oxymethoxy]cyclohexene
SMILESCC1CC=CC(OCOC2CCCC(C)C2)C1
InChIInChI=1S/C15H26O2/c1-12-5-3-7-14(9-12)16-11-17-15-8-4-6-13(2)10-15/h3,7,12-15H,4-6,8-11H2,1-2H3
InChIKeyDXSCEBHGHHEMAO-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.91
Rot. Bonds4

About 5-methyl-3-[(3-methylcyclohexyl)oxymethoxy]cyclohexene

5-methyl-3-[(3-methylcyclohexyl)oxymethoxy]cyclohexene (PubChem CID 89300434) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 5-methyl-3-[(3-methylcyclohexyl)oxymethoxy]cyclohexene.

Molecular Properties

Compound Name5-methyl-3-[(3-methylcyclohexyl)oxymethoxy]cyclohexene
PubChem CID89300434
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name5-methyl-3-[(3-methylcyclohexyl)oxymethoxy]cyclohexene
SMILESCC1CC=CC(OCOC2CCCC(C)C2)C1
InChIInChI=1S/C15H26O2/c1-12-5-3-7-14(9-12)16-11-17-15-8-4-6-13(2)10-15/h3,7,12-15H,4-6,8-11H2,1-2H3
InChIKeyDXSCEBHGHHEMAO-UHFFFAOYSA-N
XLogP3.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-methyl-3-[(3-methylcyclohexyl)oxymethoxy]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 5-methyl-3-[(3-methylcyclohexyl)oxymethoxy]cyclohexene?
The IUPAC name of 5-methyl-3-[(3-methylcyclohexyl)oxymethoxy]cyclohexene (CID 89300434) is 5-methyl-3-[(3-methylcyclohexyl)oxymethoxy]cyclohexene.
What is the SMILES notation for 5-methyl-3-[(3-methylcyclohexyl)oxymethoxy]cyclohexene?
The canonical SMILES for 5-methyl-3-[(3-methylcyclohexyl)oxymethoxy]cyclohexene is CC1CC=CC(OCOC2CCCC(C)C2)C1.
What is the InChIKey of 5-methyl-3-[(3-methylcyclohexyl)oxymethoxy]cyclohexene?
The InChIKey is DXSCEBHGHHEMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-12-5-3-7-14(9-12)16-11-17-15-8-4-6-13(2)10-15/h3,7,12-15H,4-6,8-11H2,1-2H3.
What are the key properties of 5-methyl-3-[(3-methylcyclohexyl)oxymethoxy]cyclohexene?
5-methyl-3-[(3-methylcyclohexyl)oxymethoxy]cyclohexene has a molecular weight of 238.37 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(3-methylcyclohexyl)oxymethoxy]cyclohexene is sourced from PubChem (CID 89300434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).