3-[2-(cyclohexylidenemethoxy)ethyl]oxepane

C15H26O2 — CID 176605199

IUPAC3-[2-(cyclohexylidenemethoxy)ethyl]oxepane
SMILESC(OCCC1CCCCOC1)=C1CCCCC1
InChIInChI=1S/C15H26O2/c1-2-6-14(7-3-1)12-17-11-9-15-8-4-5-10-16-13-15/h12,15H,1-11,13H2
InChIKeyPBUBVQDEAKAUKG-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.06
Rot. Bonds4

About 3-[2-(cyclohexylidenemethoxy)ethyl]oxepane

3-[2-(cyclohexylidenemethoxy)ethyl]oxepane (PubChem CID 176605199) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 3-[2-(cyclohexylidenemethoxy)ethyl]oxepane.

Molecular Properties

Compound Name3-[2-(cyclohexylidenemethoxy)ethyl]oxepane
PubChem CID176605199
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name3-[2-(cyclohexylidenemethoxy)ethyl]oxepane
SMILESC(OCCC1CCCCOC1)=C1CCCCC1
InChIInChI=1S/C15H26O2/c1-2-6-14(7-3-1)12-17-11-9-15-8-4-5-10-16-13-15/h12,15H,1-11,13H2
InChIKeyPBUBVQDEAKAUKG-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[2-(cyclohexylidenemethoxy)ethyl]oxepane 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-(Methoxymethyl)-4-(methoxymethylidene)cyclohexane
CID 139615355
1-(4-Ethenoxybutoxymethyl)-4-ethenylcyclohexane
CID 140440593
3-[3-(Cyclohexylidenemethoxy)propyl]oxepane
CID 176604034
3-[2-(Cyclohexylidenemethoxy)ethyl]oxane
CID 176604253
3-[2-(Cyclopentylidenemethoxy)ethyl]oxepane
CID 176604561
3-[2-(2-Methylprop-1-enoxy)ethyl]oxepane
CID 176604637

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexylidenemethoxy)ethyl]oxepane?
The IUPAC name of 3-[2-(cyclohexylidenemethoxy)ethyl]oxepane (CID 176605199) is 3-[2-(cyclohexylidenemethoxy)ethyl]oxepane.
What is the SMILES notation for 3-[2-(cyclohexylidenemethoxy)ethyl]oxepane?
The canonical SMILES for 3-[2-(cyclohexylidenemethoxy)ethyl]oxepane is C(OCCC1CCCCOC1)=C1CCCCC1.
What is the InChIKey of 3-[2-(cyclohexylidenemethoxy)ethyl]oxepane?
The InChIKey is PBUBVQDEAKAUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-2-6-14(7-3-1)12-17-11-9-15-8-4-5-10-16-13-15/h12,15H,1-11,13H2.
What are the key properties of 3-[2-(cyclohexylidenemethoxy)ethyl]oxepane?
3-[2-(cyclohexylidenemethoxy)ethyl]oxepane has a molecular weight of 238.37 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexylidenemethoxy)ethyl]oxepane is sourced from PubChem (CID 176605199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).