(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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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).