(3S,5R)-5-dec-9-enyl-3-[(2R)-2,3-dihydroxypropyl]oxolan-2-one

C17H30O4 — CID 10881073

IUPAC(3S,5R)-5-dec-9-enyl-3-[(2R)-2,3-dihydroxypropyl]oxolan-2-one
SMILESC=CCCCCCCCC[C@@H]1C[C@H](C[C@@H](O)CO)C(=O)O1
InChIInChI=1S/C17H30O4/c1-2-3-4-5-6-7-8-9-10-16-12-14(17(20)21-16)11-15(19)13-18/h2,14-16,18-19H,1,3-13H2/t14-,15+,16+/m0/s1
InChIKeySGQLBAQDXUEXPK-ARFHVFGLSA-N
MW298.42 g/mol
LogP2.97
Rot. Bonds12

About (3S,5R)-5-dec-9-enyl-3-[(2R)-2,3-dihydroxypropyl]oxolan-2-one

(3S,5R)-5-dec-9-enyl-3-[(2R)-2,3-dihydroxypropyl]oxolan-2-one (PubChem CID 10881073) has the molecular formula C17H30O4 and a molecular weight of 298.42 g/mol. Its IUPAC name is (3S,5R)-5-dec-9-enyl-3-[(2R)-2,3-dihydroxypropyl]oxolan-2-one.

Molecular Properties

Compound Name(3S,5R)-5-dec-9-enyl-3-[(2R)-2,3-dihydroxypropyl]oxolan-2-one
PubChem CID10881073
Molecular FormulaC17H30O4
Molecular Weight298.42 g/mol
Exact Mass298.21
IUPAC Name(3S,5R)-5-dec-9-enyl-3-[(2R)-2,3-dihydroxypropyl]oxolan-2-one
SMILESC=CCCCCCCCC[C@@H]1C[C@H](C[C@@H](O)CO)C(=O)O1
InChIInChI=1S/C17H30O4/c1-2-3-4-5-6-7-8-9-10-16-12-14(17(20)21-16)11-15(19)13-18/h2,14-16,18-19H,1,3-13H2/t14-,15+,16+/m0/s1
InChIKeySGQLBAQDXUEXPK-ARFHVFGLSA-N
XLogP2.97
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Oropheolide
CID 44606075
9,10-Dihydrooropheolide
CID 46879782
(3R,5S)-5-(hydroxymethyl)-3-icos-19-en-11-ynyloxolan-2-one
CID 9977730
Saccopetrina
CID 49864286
(3R,5S)-3-[(7E)-hexadeca-7,15-dien-9,11-diynyl]-5-(hydroxymethyl)oxolan-2-one
CID 44606076
(3R,5S)-5-(hydroxymethyl)-3-octadec-17-en-9-ynyloxolan-2-one
CID 54589746
Gigantetroneninone
CID 6443298
(5S)-5-[(6R,9R)-6,9-dihydroxy-9-[(2R,5R)-5-[(Z,1R)-1-hydroxyheptadec-4-enyl]oxolan-2-yl]nonyl]-3-(2-oxopropyl)oxolan-2-one
CID 44559040
(5S)-5-methyl-3-[(2R,13R)-2,8,13-trihydroxy-13-[(2R,5R)-5-[(Z,1R)-1-hydroxypentadec-4-enyl]oxolan-2-yl]tridecyl]oxolan-2-one
CID 171121378
(5S)-5-methyl-3-[(2R,13R)-2,6,13-trihydroxy-13-[(2R,5R)-5-[(Z,1R)-1-hydroxypentadec-4-enyl]oxolan-2-yl]tridecyl]oxolan-2-one
CID 171121379
5-(Hydroxymethyl)-3-icos-19-en-11-ynyloxolan-2-one
CID 85080979
5-Dec-9-enyl-3-(2-hydroxy-3-methoxypropyl)oxolan-2-one
CID 162891340

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-dec-9-enyl-3-[(2R)-2,3-dihydroxypropyl]oxolan-2-one?
The IUPAC name of (3S,5R)-5-dec-9-enyl-3-[(2R)-2,3-dihydroxypropyl]oxolan-2-one (CID 10881073) is (3S,5R)-5-dec-9-enyl-3-[(2R)-2,3-dihydroxypropyl]oxolan-2-one.
What is the SMILES notation for (3S,5R)-5-dec-9-enyl-3-[(2R)-2,3-dihydroxypropyl]oxolan-2-one?
The canonical SMILES for (3S,5R)-5-dec-9-enyl-3-[(2R)-2,3-dihydroxypropyl]oxolan-2-one is C=CCCCCCCCC[C@@H]1C[C@H](C[C@@H](O)CO)C(=O)O1.
What is the InChIKey of (3S,5R)-5-dec-9-enyl-3-[(2R)-2,3-dihydroxypropyl]oxolan-2-one?
The InChIKey is SGQLBAQDXUEXPK-ARFHVFGLSA-N. The full InChI is InChI=1S/C17H30O4/c1-2-3-4-5-6-7-8-9-10-16-12-14(17(20)21-16)11-15(19)13-18/h2,14-16,18-19H,1,3-13H2/t14-,15+,16+/m0/s1.
What are the key properties of (3S,5R)-5-dec-9-enyl-3-[(2R)-2,3-dihydroxypropyl]oxolan-2-one?
(3S,5R)-5-dec-9-enyl-3-[(2R)-2,3-dihydroxypropyl]oxolan-2-one has a molecular weight of 298.42 g/mol, XLogP of 2.97, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-dec-9-enyl-3-[(2R)-2,3-dihydroxypropyl]oxolan-2-one is sourced from PubChem (CID 10881073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).