2-(2-but-3-enoxyethyl)cyclopentan-1-one

C11H18O2 — CID 79565442

IUPAC2-(2-but-3-enoxyethyl)cyclopentan-1-one
SMILESC=CCCOCCC1CCCC1=O
InChIInChI=1S/C11H18O2/c1-2-3-8-13-9-7-10-5-4-6-11(10)12/h2,10H,1,3-9H2
InChIKeyPFZIRFRHKKPKSK-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.34
Rot. Bonds6

About 2-(2-but-3-enoxyethyl)cyclopentan-1-one

2-(2-but-3-enoxyethyl)cyclopentan-1-one (PubChem CID 79565442) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-(2-but-3-enoxyethyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(2-but-3-enoxyethyl)cyclopentan-1-one
PubChem CID79565442
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-(2-but-3-enoxyethyl)cyclopentan-1-one
SMILESC=CCCOCCC1CCCC1=O
InChIInChI=1S/C11H18O2/c1-2-3-8-13-9-7-10-5-4-6-11(10)12/h2,10H,1,3-9H2
InChIKeyPFZIRFRHKKPKSK-UHFFFAOYSA-N
XLogP2.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-but-3-enoxyethyl)cyclopentan-1-one?
The IUPAC name of 2-(2-but-3-enoxyethyl)cyclopentan-1-one (CID 79565442) is 2-(2-but-3-enoxyethyl)cyclopentan-1-one.
What is the SMILES notation for 2-(2-but-3-enoxyethyl)cyclopentan-1-one?
The canonical SMILES for 2-(2-but-3-enoxyethyl)cyclopentan-1-one is C=CCCOCCC1CCCC1=O.
What is the InChIKey of 2-(2-but-3-enoxyethyl)cyclopentan-1-one?
The InChIKey is PFZIRFRHKKPKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-3-8-13-9-7-10-5-4-6-11(10)12/h2,10H,1,3-9H2.
What are the key properties of 2-(2-but-3-enoxyethyl)cyclopentan-1-one?
2-(2-but-3-enoxyethyl)cyclopentan-1-one has a molecular weight of 182.26 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-but-3-enoxyethyl)cyclopentan-1-one is sourced from PubChem (CID 79565442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).