1-methoxy-4-(methoxymethylidene)cyclohexane

C9H16O2 — CID 118962999

IUPAC1-methoxy-4-(methoxymethylidene)cyclohexane
SMILESCOC=C1CCC(OC)CC1
InChIInChI=1S/C9H16O2/c1-10-7-8-3-5-9(11-2)6-4-8/h7,9H,3-6H2,1-2H3/b8-7-
InChIKeyHBELJLPYDHTPDD-FPLPWBNLSA-N
MW156.22 g/mol
LogP2.11
Rot. Bonds2

About 1-methoxy-4-(methoxymethylidene)cyclohexane

1-methoxy-4-(methoxymethylidene)cyclohexane (PubChem CID 118962999) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 1-methoxy-4-(methoxymethylidene)cyclohexane.

Molecular Properties

Compound Name1-methoxy-4-(methoxymethylidene)cyclohexane
PubChem CID118962999
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name1-methoxy-4-(methoxymethylidene)cyclohexane
SMILESCOC=C1CCC(OC)CC1
InChIInChI=1S/C9H16O2/c1-10-7-8-3-5-9(11-2)6-4-8/h7,9H,3-6H2,1-2H3/b8-7-
InChIKeyHBELJLPYDHTPDD-FPLPWBNLSA-N
XLogP2.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methoxy-4-(methoxymethylidene)cyclohexane 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 1-methoxy-4-(methoxymethylidene)cyclohexane?
The IUPAC name of 1-methoxy-4-(methoxymethylidene)cyclohexane (CID 118962999) is 1-methoxy-4-(methoxymethylidene)cyclohexane.
What is the SMILES notation for 1-methoxy-4-(methoxymethylidene)cyclohexane?
The canonical SMILES for 1-methoxy-4-(methoxymethylidene)cyclohexane is COC=C1CCC(OC)CC1.
What is the InChIKey of 1-methoxy-4-(methoxymethylidene)cyclohexane?
The InChIKey is HBELJLPYDHTPDD-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H16O2/c1-10-7-8-3-5-9(11-2)6-4-8/h7,9H,3-6H2,1-2H3/b8-7-.
What are the key properties of 1-methoxy-4-(methoxymethylidene)cyclohexane?
1-methoxy-4-(methoxymethylidene)cyclohexane has a molecular weight of 156.22 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(methoxymethylidene)cyclohexane is sourced from PubChem (CID 118962999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).