(4R,5S)-4-ethenyl-5-pentyloxolan-2-one

C11H18O2 — CID 11344384

IUPAC(4R,5S)-4-ethenyl-5-pentyloxolan-2-one
SMILESC=C[C@H]1CC(=O)O[C@H]1CCCCC
InChIInChI=1S/C11H18O2/c1-3-5-6-7-10-9(4-2)8-11(12)13-10/h4,9-10H,2-3,5-8H2,1H3/t9-,10-/m0/s1
InChIKeyRNFSJKHVNLZEJF-UWVGGRQHSA-N
MW182.26 g/mol
LogP2.68
Rot. Bonds5

About (4R,5S)-4-ethenyl-5-pentyloxolan-2-one

(4R,5S)-4-ethenyl-5-pentyloxolan-2-one (PubChem CID 11344384) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (4R,5S)-4-ethenyl-5-pentyloxolan-2-one.

Molecular Properties

Compound Name(4R,5S)-4-ethenyl-5-pentyloxolan-2-one
PubChem CID11344384
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(4R,5S)-4-ethenyl-5-pentyloxolan-2-one
SMILESC=C[C@H]1CC(=O)O[C@H]1CCCCC
InChIInChI=1S/C11H18O2/c1-3-5-6-7-10-9(4-2)8-11(12)13-10/h4,9-10H,2-3,5-8H2,1H3/t9-,10-/m0/s1
InChIKeyRNFSJKHVNLZEJF-UWVGGRQHSA-N
XLogP2.68
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 ≤ 52.68
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 (4R,5S)-4-ethenyl-5-pentyloxolan-2-one?
The IUPAC name of (4R,5S)-4-ethenyl-5-pentyloxolan-2-one (CID 11344384) is (4R,5S)-4-ethenyl-5-pentyloxolan-2-one.
What is the SMILES notation for (4R,5S)-4-ethenyl-5-pentyloxolan-2-one?
The canonical SMILES for (4R,5S)-4-ethenyl-5-pentyloxolan-2-one is C=C[C@H]1CC(=O)O[C@H]1CCCCC.
What is the InChIKey of (4R,5S)-4-ethenyl-5-pentyloxolan-2-one?
The InChIKey is RNFSJKHVNLZEJF-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-5-6-7-10-9(4-2)8-11(12)13-10/h4,9-10H,2-3,5-8H2,1H3/t9-,10-/m0/s1.
What are the key properties of (4R,5S)-4-ethenyl-5-pentyloxolan-2-one?
(4R,5S)-4-ethenyl-5-pentyloxolan-2-one has a molecular weight of 182.26 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-ethenyl-5-pentyloxolan-2-one is sourced from PubChem (CID 11344384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).