3-[3-[(E)-prop-1-enoxy]propyl]cyclopentan-1-one

C11H18O2 — CID 176605074

IUPAC3-[3-[(E)-prop-1-enoxy]propyl]cyclopentan-1-one
SMILESC/C=C/OCCCC1CCC(=O)C1
InChIInChI=1S/C11H18O2/c1-2-7-13-8-3-4-10-5-6-11(12)9-10/h2,7,10H,3-6,8-9H2,1H3/b7-2+
InChIKeyWUQLHYCKADTGJX-FARCUNLSSA-N
MW182.26 g/mol
LogP2.69
Rot. Bonds5

About 3-[3-[(E)-prop-1-enoxy]propyl]cyclopentan-1-one

3-[3-[(E)-prop-1-enoxy]propyl]cyclopentan-1-one (PubChem CID 176605074) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 3-[3-[(E)-prop-1-enoxy]propyl]cyclopentan-1-one.

Molecular Properties

Compound Name3-[3-[(E)-prop-1-enoxy]propyl]cyclopentan-1-one
PubChem CID176605074
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name3-[3-[(E)-prop-1-enoxy]propyl]cyclopentan-1-one
SMILESC/C=C/OCCCC1CCC(=O)C1
InChIInChI=1S/C11H18O2/c1-2-7-13-8-3-4-10-5-6-11(12)9-10/h2,7,10H,3-6,8-9H2,1H3/b7-2+
InChIKeyWUQLHYCKADTGJX-FARCUNLSSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.69
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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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(E)-prop-1-enoxy]propyl]cyclopentan-1-one?
The IUPAC name of 3-[3-[(E)-prop-1-enoxy]propyl]cyclopentan-1-one (CID 176605074) is 3-[3-[(E)-prop-1-enoxy]propyl]cyclopentan-1-one.
What is the SMILES notation for 3-[3-[(E)-prop-1-enoxy]propyl]cyclopentan-1-one?
The canonical SMILES for 3-[3-[(E)-prop-1-enoxy]propyl]cyclopentan-1-one is C/C=C/OCCCC1CCC(=O)C1.
What is the InChIKey of 3-[3-[(E)-prop-1-enoxy]propyl]cyclopentan-1-one?
The InChIKey is WUQLHYCKADTGJX-FARCUNLSSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-7-13-8-3-4-10-5-6-11(12)9-10/h2,7,10H,3-6,8-9H2,1H3/b7-2+.
What are the key properties of 3-[3-[(E)-prop-1-enoxy]propyl]cyclopentan-1-one?
3-[3-[(E)-prop-1-enoxy]propyl]cyclopentan-1-one has a molecular weight of 182.26 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(E)-prop-1-enoxy]propyl]cyclopentan-1-one is sourced from PubChem (CID 176605074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).