3-[3-(cyclopentylidenemethoxy)propyl]cyclopentan-1-one

C14H22O2 — CID 176604431

IUPAC3-[3-(cyclopentylidenemethoxy)propyl]cyclopentan-1-one
SMILESO=C1CCC(CCCOC=C2CCCC2)C1
InChIInChI=1S/C14H22O2/c15-14-8-7-12(10-14)6-3-9-16-11-13-4-1-2-5-13/h11-12H,1-10H2
InChIKeyHSDGPVPFBOKYJX-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.61
Rot. Bonds5

About 3-[3-(cyclopentylidenemethoxy)propyl]cyclopentan-1-one

3-[3-(cyclopentylidenemethoxy)propyl]cyclopentan-1-one (PubChem CID 176604431) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-[3-(cyclopentylidenemethoxy)propyl]cyclopentan-1-one.

Molecular Properties

Compound Name3-[3-(cyclopentylidenemethoxy)propyl]cyclopentan-1-one
PubChem CID176604431
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name3-[3-(cyclopentylidenemethoxy)propyl]cyclopentan-1-one
SMILESO=C1CCC(CCCOC=C2CCCC2)C1
InChIInChI=1S/C14H22O2/c15-14-8-7-12(10-14)6-3-9-16-11-13-4-1-2-5-13/h11-12H,1-10H2
InChIKeyHSDGPVPFBOKYJX-UHFFFAOYSA-N
XLogP3.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.61
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'}

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Related Compounds

3-(3,4-dihydro-2H-pyran-5-yl)cyclohexanone
CID 12461795
4-cyclopentyl-3H-furan-2-one
CID 14816204
3-[3-(Cyclopentylidenemethoxy)propyl]-3-ethylcyclopentan-1-one
CID 176605296
2-(3,4-dihydro-2H-pyran-5-yl)cyclopentan-1-one
CID 11768911
2-(3,4-dihydro-2H-pyran-5-yl)cyclohexan-1-one
CID 14910840
cyclopentyl(3,4-dihydro-2H-pyran-5-yl)methanone
CID 104058253
3,4-dihydro-2H-pyran-5-yl-(3-ethylcyclopentyl)methanone
CID 104058356
2-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanone
CID 115798032
3-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one
CID 115798210
Cyclopentyl(2,3-dihydrofuran-4-yl)methanone
CID 130579207
2,3-Dihydrofuran-4-yl-(3-ethylcyclopentyl)methanone
CID 130579270
2-Cyclopentyl-1-(2,3-dihydrofuran-4-yl)ethanone
CID 130579853

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopentylidenemethoxy)propyl]cyclopentan-1-one?
The IUPAC name of 3-[3-(cyclopentylidenemethoxy)propyl]cyclopentan-1-one (CID 176604431) is 3-[3-(cyclopentylidenemethoxy)propyl]cyclopentan-1-one.
What is the SMILES notation for 3-[3-(cyclopentylidenemethoxy)propyl]cyclopentan-1-one?
The canonical SMILES for 3-[3-(cyclopentylidenemethoxy)propyl]cyclopentan-1-one is O=C1CCC(CCCOC=C2CCCC2)C1.
What is the InChIKey of 3-[3-(cyclopentylidenemethoxy)propyl]cyclopentan-1-one?
The InChIKey is HSDGPVPFBOKYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c15-14-8-7-12(10-14)6-3-9-16-11-13-4-1-2-5-13/h11-12H,1-10H2.
What are the key properties of 3-[3-(cyclopentylidenemethoxy)propyl]cyclopentan-1-one?
3-[3-(cyclopentylidenemethoxy)propyl]cyclopentan-1-one has a molecular weight of 222.33 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopentylidenemethoxy)propyl]cyclopentan-1-one is sourced from PubChem (CID 176604431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).