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

C16H26O2 — CID 176605296

IUPAC3-[3-(cyclopentylidenemethoxy)propyl]-3-ethylcyclopentan-1-one
SMILESCCC1(CCCOC=C2CCCC2)CCC(=O)C1
InChIInChI=1S/C16H26O2/c1-2-16(10-8-15(17)12-16)9-5-11-18-13-14-6-3-4-7-14/h13H,2-12H2,1H3
InChIKeyCMFPMAVDXJWHHF-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.39
Rot. Bonds6

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

3-[3-(cyclopentylidenemethoxy)propyl]-3-ethylcyclopentan-1-one (PubChem CID 176605296) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 3-[3-(cyclopentylidenemethoxy)propyl]-3-ethylcyclopentan-1-one.

Molecular Properties

Compound Name3-[3-(cyclopentylidenemethoxy)propyl]-3-ethylcyclopentan-1-one
PubChem CID176605296
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name3-[3-(cyclopentylidenemethoxy)propyl]-3-ethylcyclopentan-1-one
SMILESCCC1(CCCOC=C2CCCC2)CCC(=O)C1
InChIInChI=1S/C16H26O2/c1-2-16(10-8-15(17)12-16)9-5-11-18-13-14-6-3-4-7-14/h13H,2-12H2,1H3
InChIKeyCMFPMAVDXJWHHF-UHFFFAOYSA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.39
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

10-(6-Heptadec-1-en-2-yloxyhexyl)-10-methyl-18-methylidenetritriacontan-4-one
CID 170264376
3-[3-(Cyclopentylidenemethoxy)propyl]cyclopentan-1-one
CID 176604431
3,4-dihydro-2H-pyran-5-yl-(1-methylcyclopentyl)methanone
CID 115798002
3,4-dihydro-2H-pyran-5-yl-(1-ethylcyclopentyl)methanone
CID 115798101
(3Z)-3-(ethoxymethylidene)spiro[4.4]nonan-4-one
CID 133675009
2-(Ethoxymethylidene)spiro[4.4]nonan-1-one
CID 145709427

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopentylidenemethoxy)propyl]-3-ethylcyclopentan-1-one?
The IUPAC name of 3-[3-(cyclopentylidenemethoxy)propyl]-3-ethylcyclopentan-1-one (CID 176605296) is 3-[3-(cyclopentylidenemethoxy)propyl]-3-ethylcyclopentan-1-one.
What is the SMILES notation for 3-[3-(cyclopentylidenemethoxy)propyl]-3-ethylcyclopentan-1-one?
The canonical SMILES for 3-[3-(cyclopentylidenemethoxy)propyl]-3-ethylcyclopentan-1-one is CCC1(CCCOC=C2CCCC2)CCC(=O)C1.
What is the InChIKey of 3-[3-(cyclopentylidenemethoxy)propyl]-3-ethylcyclopentan-1-one?
The InChIKey is CMFPMAVDXJWHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-2-16(10-8-15(17)12-16)9-5-11-18-13-14-6-3-4-7-14/h13H,2-12H2,1H3.
What are the key properties of 3-[3-(cyclopentylidenemethoxy)propyl]-3-ethylcyclopentan-1-one?
3-[3-(cyclopentylidenemethoxy)propyl]-3-ethylcyclopentan-1-one has a molecular weight of 250.38 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopentylidenemethoxy)propyl]-3-ethylcyclopentan-1-one is sourced from PubChem (CID 176605296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).