methoxymethylidenecycloheptane

C9H16O — CID 13163955

IUPACmethoxymethylidenecycloheptane
SMILESCOC=C1CCCCCC1
InChIInChI=1S/C9H16O/c1-10-8-9-6-4-2-3-5-7-9/h8H,2-7H2,1H3
InChIKeyKKFRZZMWMFYFPS-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.87
Rot. Bonds1

About methoxymethylidenecycloheptane

methoxymethylidenecycloheptane (PubChem CID 13163955) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is methoxymethylidenecycloheptane.

Molecular Properties

Compound Namemethoxymethylidenecycloheptane
PubChem CID13163955
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Namemethoxymethylidenecycloheptane
SMILESCOC=C1CCCCCC1
InChIInChI=1S/C9H16O/c1-10-8-9-6-4-2-3-5-7-9/h8H,2-7H2,1H3
InChIKeyKKFRZZMWMFYFPS-UHFFFAOYSA-N
XLogP2.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze methoxymethylidenecycloheptane 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 methoxymethylidenecycloheptane?
The IUPAC name of methoxymethylidenecycloheptane (CID 13163955) is methoxymethylidenecycloheptane.
What is the SMILES notation for methoxymethylidenecycloheptane?
The canonical SMILES for methoxymethylidenecycloheptane is COC=C1CCCCCC1.
What is the InChIKey of methoxymethylidenecycloheptane?
The InChIKey is KKFRZZMWMFYFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-10-8-9-6-4-2-3-5-7-9/h8H,2-7H2,1H3.
What are the key properties of methoxymethylidenecycloheptane?
methoxymethylidenecycloheptane has a molecular weight of 140.23 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethylidenecycloheptane is sourced from PubChem (CID 13163955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).