(5S)-5-[(Z,1R,2R)-1,2,9-trihydroxydec-3-enyl]oxolan-2-one

C14H24O5 — CID 156581263

IUPAC(5S)-5-[(Z,1R,2R)-1,2,9-trihydroxydec-3-enyl]oxolan-2-one
SMILESCC(O)CCCC/C=C\[C@@H](O)[C@@H](O)[C@@H]1CCC(=O)O1
InChIInChI=1S/C14H24O5/c1-10(15)6-4-2-3-5-7-11(16)14(18)12-8-9-13(17)19-12/h5,7,10-12,14-16,18H,2-4,6,8-9H2,1H3/b7-5-/t10?,11-,12+,14-/m1/s1
InChIKeyHVNQKXWOAYJQBY-WKCNPMKGSA-N
MW272.34 g/mol
LogP0.91
Rot. Bonds8

About (5S)-5-[(Z,1R,2R)-1,2,9-trihydroxydec-3-enyl]oxolan-2-one

(5S)-5-[(Z,1R,2R)-1,2,9-trihydroxydec-3-enyl]oxolan-2-one (PubChem CID 156581263) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is (5S)-5-[(Z,1R,2R)-1,2,9-trihydroxydec-3-enyl]oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-[(Z,1R,2R)-1,2,9-trihydroxydec-3-enyl]oxolan-2-one
PubChem CID156581263
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name(5S)-5-[(Z,1R,2R)-1,2,9-trihydroxydec-3-enyl]oxolan-2-one
SMILESCC(O)CCCC/C=C\[C@@H](O)[C@@H](O)[C@@H]1CCC(=O)O1
InChIInChI=1S/C14H24O5/c1-10(15)6-4-2-3-5-7-11(16)14(18)12-8-9-13(17)19-12/h5,7,10-12,14-16,18H,2-4,6,8-9H2,1H3/b7-5-/t10?,11-,12+,14-/m1/s1
InChIKeyHVNQKXWOAYJQBY-WKCNPMKGSA-N
XLogP0.91
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 (5S)-5-[(Z,1R,2R)-1,2,9-trihydroxydec-3-enyl]oxolan-2-one?
The IUPAC name of (5S)-5-[(Z,1R,2R)-1,2,9-trihydroxydec-3-enyl]oxolan-2-one (CID 156581263) is (5S)-5-[(Z,1R,2R)-1,2,9-trihydroxydec-3-enyl]oxolan-2-one.
What is the SMILES notation for (5S)-5-[(Z,1R,2R)-1,2,9-trihydroxydec-3-enyl]oxolan-2-one?
The canonical SMILES for (5S)-5-[(Z,1R,2R)-1,2,9-trihydroxydec-3-enyl]oxolan-2-one is CC(O)CCCC/C=C\[C@@H](O)[C@@H](O)[C@@H]1CCC(=O)O1.
What is the InChIKey of (5S)-5-[(Z,1R,2R)-1,2,9-trihydroxydec-3-enyl]oxolan-2-one?
The InChIKey is HVNQKXWOAYJQBY-WKCNPMKGSA-N. The full InChI is InChI=1S/C14H24O5/c1-10(15)6-4-2-3-5-7-11(16)14(18)12-8-9-13(17)19-12/h5,7,10-12,14-16,18H,2-4,6,8-9H2,1H3/b7-5-/t10?,11-,12+,14-/m1/s1.
What are the key properties of (5S)-5-[(Z,1R,2R)-1,2,9-trihydroxydec-3-enyl]oxolan-2-one?
(5S)-5-[(Z,1R,2R)-1,2,9-trihydroxydec-3-enyl]oxolan-2-one has a molecular weight of 272.34 g/mol, XLogP of 0.91, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(Z,1R,2R)-1,2,9-trihydroxydec-3-enyl]oxolan-2-one is sourced from PubChem (CID 156581263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).