(5S)-5-phenyl-5-propyloxolan-2-one

C13H16O2 — CID 11333178

IUPAC(5S)-5-phenyl-5-propyloxolan-2-one
SMILESCCC[C@@]1(c2ccccc2)CCC(=O)O1
InChIInChI=1S/C13H16O2/c1-2-9-13(10-8-12(14)15-13)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3/t13-/m0/s1
InChIKeyLPLMJUDRRZXURD-ZDUSSCGKSA-N
MW204.27 g/mol
LogP3.02
Rot. Bonds3

About (5S)-5-phenyl-5-propyloxolan-2-one

(5S)-5-phenyl-5-propyloxolan-2-one (PubChem CID 11333178) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (5S)-5-phenyl-5-propyloxolan-2-one.

Molecular Properties

Compound Name(5S)-5-phenyl-5-propyloxolan-2-one
PubChem CID11333178
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(5S)-5-phenyl-5-propyloxolan-2-one
SMILESCCC[C@@]1(c2ccccc2)CCC(=O)O1
InChIInChI=1S/C13H16O2/c1-2-9-13(10-8-12(14)15-13)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3/t13-/m0/s1
InChIKeyLPLMJUDRRZXURD-ZDUSSCGKSA-N
XLogP3.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-phenyl-5-propyloxolan-2-one?
The IUPAC name of (5S)-5-phenyl-5-propyloxolan-2-one (CID 11333178) is (5S)-5-phenyl-5-propyloxolan-2-one.
What is the SMILES notation for (5S)-5-phenyl-5-propyloxolan-2-one?
The canonical SMILES for (5S)-5-phenyl-5-propyloxolan-2-one is CCC[C@@]1(c2ccccc2)CCC(=O)O1.
What is the InChIKey of (5S)-5-phenyl-5-propyloxolan-2-one?
The InChIKey is LPLMJUDRRZXURD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H16O2/c1-2-9-13(10-8-12(14)15-13)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3/t13-/m0/s1.
What are the key properties of (5S)-5-phenyl-5-propyloxolan-2-one?
(5S)-5-phenyl-5-propyloxolan-2-one has a molecular weight of 204.27 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-phenyl-5-propyloxolan-2-one is sourced from PubChem (CID 11333178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).