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

C19H34O2 — CID 10990078

IUPAC(4R,5S)-4-ethenyl-5-tridecyloxolan-2-one
SMILESC=C[C@H]1CC(=O)O[C@H]1CCCCCCCCCCCCC
InChIInChI=1S/C19H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-17(4-2)16-19(20)21-18/h4,17-18H,2-3,5-16H2,1H3/t17-,18-/m0/s1
InChIKeyOXKHYJRSFCNTPE-ROUUACIJSA-N
MW294.48 g/mol
LogP5.81
Rot. Bonds13

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

(4R,5S)-4-ethenyl-5-tridecyloxolan-2-one (PubChem CID 10990078) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is (4R,5S)-4-ethenyl-5-tridecyloxolan-2-one.

Molecular Properties

Compound Name(4R,5S)-4-ethenyl-5-tridecyloxolan-2-one
PubChem CID10990078
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Name(4R,5S)-4-ethenyl-5-tridecyloxolan-2-one
SMILESC=C[C@H]1CC(=O)O[C@H]1CCCCCCCCCCCCC
InChIInChI=1S/C19H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-17(4-2)16-19(20)21-18/h4,17-18H,2-3,5-16H2,1H3/t17-,18-/m0/s1
InChIKeyOXKHYJRSFCNTPE-ROUUACIJSA-N
XLogP5.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 55.81
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-tridecyloxolan-2-one?
The IUPAC name of (4R,5S)-4-ethenyl-5-tridecyloxolan-2-one (CID 10990078) is (4R,5S)-4-ethenyl-5-tridecyloxolan-2-one.
What is the SMILES notation for (4R,5S)-4-ethenyl-5-tridecyloxolan-2-one?
The canonical SMILES for (4R,5S)-4-ethenyl-5-tridecyloxolan-2-one is C=C[C@H]1CC(=O)O[C@H]1CCCCCCCCCCCCC.
What is the InChIKey of (4R,5S)-4-ethenyl-5-tridecyloxolan-2-one?
The InChIKey is OXKHYJRSFCNTPE-ROUUACIJSA-N. The full InChI is InChI=1S/C19H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-17(4-2)16-19(20)21-18/h4,17-18H,2-3,5-16H2,1H3/t17-,18-/m0/s1.
What are the key properties of (4R,5S)-4-ethenyl-5-tridecyloxolan-2-one?
(4R,5S)-4-ethenyl-5-tridecyloxolan-2-one has a molecular weight of 294.48 g/mol, XLogP of 5.81, 13 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-tridecyloxolan-2-one is sourced from PubChem (CID 10990078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).