(2S,4R,14E)-heptadeca-14,16-diene-1,2,4-triol

C17H32O3 — CID 38363735

IUPAC(2S,4R,14E)-heptadeca-14,16-diene-1,2,4-triol
SMILESC=C/C=C/CCCCCCCCC[C@@H](O)C[C@H](O)CO
InChIInChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)14-17(20)15-18/h2-4,16-20H,1,5-15H2/b4-3+/t16-,17+/m1/s1
InChIKeyPHNKLLIMYYNUMV-YRLOJYSSSA-N
MW284.44 g/mol
LogP3.34
Rot. Bonds14

About (2S,4R,14E)-heptadeca-14,16-diene-1,2,4-triol

(2S,4R,14E)-heptadeca-14,16-diene-1,2,4-triol (PubChem CID 38363735) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is (2S,4R,14E)-heptadeca-14,16-diene-1,2,4-triol.

Molecular Properties

Compound Name(2S,4R,14E)-heptadeca-14,16-diene-1,2,4-triol
PubChem CID38363735
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Name(2S,4R,14E)-heptadeca-14,16-diene-1,2,4-triol
SMILESC=C/C=C/CCCCCCCCC[C@@H](O)C[C@H](O)CO
InChIInChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)14-17(20)15-18/h2-4,16-20H,1,5-15H2/b4-3+/t16-,17+/m1/s1
InChIKeyPHNKLLIMYYNUMV-YRLOJYSSSA-N
XLogP3.34
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 171749801
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CID 175333798
heptadeca-14,16-dien-1-ol
CID 163204876
deca-7,9-dien-1-ol
CID 54432323
pentadeca-12,14-dien-1-ol
CID 163204807
(14E)-heptadeca-14,16-dien-1-ol
CID 163204911
8,9-dihydroxynon-2-enal
CID 121360685
11-methyldodeca-1,3-diene
CID 154156925
11-ethyltrideca-1,3-diene
CID 163546682
octadec-9-ene-1,2-diol
CID 139720566
trimethyl-[(15E)-octadeca-15,17-dienyl]phosphanium
CID 101109490
(3E)-13,13-dimethoxytrideca-1,3-diene
CID 13111838

Frequently Asked Questions

What is the IUPAC name of (2S,4R,14E)-heptadeca-14,16-diene-1,2,4-triol?
The IUPAC name of (2S,4R,14E)-heptadeca-14,16-diene-1,2,4-triol (CID 38363735) is (2S,4R,14E)-heptadeca-14,16-diene-1,2,4-triol.
What is the SMILES notation for (2S,4R,14E)-heptadeca-14,16-diene-1,2,4-triol?
The canonical SMILES for (2S,4R,14E)-heptadeca-14,16-diene-1,2,4-triol is C=C/C=C/CCCCCCCCC[C@@H](O)C[C@H](O)CO.
What is the InChIKey of (2S,4R,14E)-heptadeca-14,16-diene-1,2,4-triol?
The InChIKey is PHNKLLIMYYNUMV-YRLOJYSSSA-N. The full InChI is InChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)14-17(20)15-18/h2-4,16-20H,1,5-15H2/b4-3+/t16-,17+/m1/s1.
What are the key properties of (2S,4R,14E)-heptadeca-14,16-diene-1,2,4-triol?
(2S,4R,14E)-heptadeca-14,16-diene-1,2,4-triol has a molecular weight of 284.44 g/mol, XLogP of 3.34, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,14E)-heptadeca-14,16-diene-1,2,4-triol is sourced from PubChem (CID 38363735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).