3-[1-(cyclopentylidenemethoxy)ethyl]oxepane

C14H24O2 — CID 176604873

IUPAC3-[1-(cyclopentylidenemethoxy)ethyl]oxepane
SMILESCC(OC=C1CCCC1)C1CCCCOC1
InChIInChI=1S/C14H24O2/c1-12(14-8-4-5-9-15-11-14)16-10-13-6-2-3-7-13/h10,12,14H,2-9,11H2,1H3
InChIKeyIKPMMXVJYOPRII-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.67
Rot. Bonds3

About 3-[1-(cyclopentylidenemethoxy)ethyl]oxepane

3-[1-(cyclopentylidenemethoxy)ethyl]oxepane (PubChem CID 176604873) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 3-[1-(cyclopentylidenemethoxy)ethyl]oxepane.

Molecular Properties

Compound Name3-[1-(cyclopentylidenemethoxy)ethyl]oxepane
PubChem CID176604873
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name3-[1-(cyclopentylidenemethoxy)ethyl]oxepane
SMILESCC(OC=C1CCCC1)C1CCCCOC1
InChIInChI=1S/C14H24O2/c1-12(14-8-4-5-9-15-11-14)16-10-13-6-2-3-7-13/h10,12,14H,2-9,11H2,1H3
InChIKeyIKPMMXVJYOPRII-UHFFFAOYSA-N
XLogP3.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(Cyclohexylidenemethoxy)ethyl]-3-methyloxepane
CID 176603427
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methyloxane
CID 176603490
3-[1-(2-Methylprop-1-enoxy)ethyl]oxepane
CID 176603555
3-[2-(Cyclopentylidenemethoxy)ethyl]oxepane
CID 176604561
3-[3-(Cyclopentylidenemethoxy)propyl]oxepane
CID 176605030
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methyloxepane
CID 176605452

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopentylidenemethoxy)ethyl]oxepane?
The IUPAC name of 3-[1-(cyclopentylidenemethoxy)ethyl]oxepane (CID 176604873) is 3-[1-(cyclopentylidenemethoxy)ethyl]oxepane.
What is the SMILES notation for 3-[1-(cyclopentylidenemethoxy)ethyl]oxepane?
The canonical SMILES for 3-[1-(cyclopentylidenemethoxy)ethyl]oxepane is CC(OC=C1CCCC1)C1CCCCOC1.
What is the InChIKey of 3-[1-(cyclopentylidenemethoxy)ethyl]oxepane?
The InChIKey is IKPMMXVJYOPRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-12(14-8-4-5-9-15-11-14)16-10-13-6-2-3-7-13/h10,12,14H,2-9,11H2,1H3.
What are the key properties of 3-[1-(cyclopentylidenemethoxy)ethyl]oxepane?
3-[1-(cyclopentylidenemethoxy)ethyl]oxepane has a molecular weight of 224.34 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclopentylidenemethoxy)ethyl]oxepane is sourced from PubChem (CID 176604873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).