(5R)-5-[(2S)-pent-4-en-2-yl]oxolan-2-one

C9H14O2 — CID 135037990

IUPAC(5R)-5-[(2S)-pent-4-en-2-yl]oxolan-2-one
SMILESC=CC[C@H](C)[C@H]1CCC(=O)O1
InChIInChI=1S/C9H14O2/c1-3-4-7(2)8-5-6-9(10)11-8/h3,7-8H,1,4-6H2,2H3/t7-,8+/m0/s1
InChIKeyRIRVJTUXQAZYIU-JGVFFNPUSA-N
MW154.21 g/mol
LogP1.90
Rot. Bonds3

About (5R)-5-[(2S)-pent-4-en-2-yl]oxolan-2-one

(5R)-5-[(2S)-pent-4-en-2-yl]oxolan-2-one (PubChem CID 135037990) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (5R)-5-[(2S)-pent-4-en-2-yl]oxolan-2-one.

Molecular Properties

Compound Name(5R)-5-[(2S)-pent-4-en-2-yl]oxolan-2-one
PubChem CID135037990
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(5R)-5-[(2S)-pent-4-en-2-yl]oxolan-2-one
SMILESC=CC[C@H](C)[C@H]1CCC(=O)O1
InChIInChI=1S/C9H14O2/c1-3-4-7(2)8-5-6-9(10)11-8/h3,7-8H,1,4-6H2,2H3/t7-,8+/m0/s1
InChIKeyRIRVJTUXQAZYIU-JGVFFNPUSA-N
XLogP1.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(1-iodoethyl)oxolan-2-one
CID 101198694
tert-butyl N-[(1S,3S)-3-methyl-1-[(2S)-5-oxooxolan-2-yl]hex-5-enyl]carbamate
CID 68546548
(5S)-5-[(1S)-1-bromopropyl]oxolan-2-one
CID 134965228
(5R)-5-[(1S)-1-amino-3-methylbutyl]oxolan-2-one
CID 130877549
(5S)-5-[(1S,3Z,6Z,9Z,12Z,15Z)-1-hydroxyoctadeca-3,6,9,12,15-pentaenyl]oxolan-2-one
CID 124582079
(5R,6R)-5-ethenyl-6-methyloxan-2-one
CID 11320973
5-hex-5-enyloxolan-2-one
CID 15818771
5-[(1S,2S)-1,2,3-trihydroxypropyl]oxolan-2-one
CID 130803122
(5R)-5-[(1S)-2-bromo-1-hydroxyethyl]oxolan-2-one
CID 11735937
5-(2,2-difluoroethyl)oxolan-2-one
CID 67256277
5-(3-hydroxy-1-methoxypropyl)oxolan-2-one
CID 69292086
4-propan-2-yloxolan-2-one;5-propan-2-yloxolan-2-one
CID 155596266

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(2S)-pent-4-en-2-yl]oxolan-2-one?
The IUPAC name of (5R)-5-[(2S)-pent-4-en-2-yl]oxolan-2-one (CID 135037990) is (5R)-5-[(2S)-pent-4-en-2-yl]oxolan-2-one.
What is the SMILES notation for (5R)-5-[(2S)-pent-4-en-2-yl]oxolan-2-one?
The canonical SMILES for (5R)-5-[(2S)-pent-4-en-2-yl]oxolan-2-one is C=CC[C@H](C)[C@H]1CCC(=O)O1.
What is the InChIKey of (5R)-5-[(2S)-pent-4-en-2-yl]oxolan-2-one?
The InChIKey is RIRVJTUXQAZYIU-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-4-7(2)8-5-6-9(10)11-8/h3,7-8H,1,4-6H2,2H3/t7-,8+/m0/s1.
What are the key properties of (5R)-5-[(2S)-pent-4-en-2-yl]oxolan-2-one?
(5R)-5-[(2S)-pent-4-en-2-yl]oxolan-2-one has a molecular weight of 154.21 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(2S)-pent-4-en-2-yl]oxolan-2-one is sourced from PubChem (CID 135037990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).