(5S)-5-hydroxy-5-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]furan-2-one

C18H26O3 — CID 11289282

IUPAC(5S)-5-hydroxy-5-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]furan-2-one
SMILESCCCCC/C=C\C/C=C\C/C=C\C[C@@]1(O)C=CC(=O)O1
InChIInChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(20)16-14-17(19)21-18/h6-7,9-10,12-14,16,20H,2-5,8,11,15H2,1H3/b7-6-,10-9-,13-12-/t18-/m0/s1
InChIKeyLVCOGODTZXUSJZ-ASAJVGERSA-N
MW290.40 g/mol
LogP4.21
Rot. Bonds10

About (5S)-5-hydroxy-5-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]furan-2-one

(5S)-5-hydroxy-5-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]furan-2-one (PubChem CID 11289282) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is (5S)-5-hydroxy-5-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]furan-2-one.

Molecular Properties

Compound Name(5S)-5-hydroxy-5-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]furan-2-one
PubChem CID11289282
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name(5S)-5-hydroxy-5-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]furan-2-one
SMILESCCCCC/C=C\C/C=C\C/C=C\C[C@@]1(O)C=CC(=O)O1
InChIInChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(20)16-14-17(19)21-18/h6-7,9-10,12-14,16,20H,2-5,8,11,15H2,1H3/b7-6-,10-9-,13-12-/t18-/m0/s1
InChIKeyLVCOGODTZXUSJZ-ASAJVGERSA-N
XLogP4.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-hydroxy-5-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]furan-2-one?
The IUPAC name of (5S)-5-hydroxy-5-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]furan-2-one (CID 11289282) is (5S)-5-hydroxy-5-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]furan-2-one.
What is the SMILES notation for (5S)-5-hydroxy-5-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]furan-2-one?
The canonical SMILES for (5S)-5-hydroxy-5-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]furan-2-one is CCCCC/C=C\C/C=C\C/C=C\C[C@@]1(O)C=CC(=O)O1.
What is the InChIKey of (5S)-5-hydroxy-5-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]furan-2-one?
The InChIKey is LVCOGODTZXUSJZ-ASAJVGERSA-N. The full InChI is InChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(20)16-14-17(19)21-18/h6-7,9-10,12-14,16,20H,2-5,8,11,15H2,1H3/b7-6-,10-9-,13-12-/t18-/m0/s1.
What are the key properties of (5S)-5-hydroxy-5-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]furan-2-one?
(5S)-5-hydroxy-5-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]furan-2-one has a molecular weight of 290.40 g/mol, XLogP of 4.21, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-hydroxy-5-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]furan-2-one is sourced from PubChem (CID 11289282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).