(5S,8E,10E)-5-hydroxypentadeca-8,10-dien-6,14-diynoic acid

C15H18O3 — CID 45275265

IUPAC(5S,8E,10E)-5-hydroxypentadeca-8,10-dien-6,14-diynoic acid
SMILESC#CCC/C=C/C=C/C#C[C@@H](O)CCCC(=O)O
InChIInChI=1S/C15H18O3/c1-2-3-4-5-6-7-8-9-11-14(16)12-10-13-15(17)18/h1,5-8,14,16H,3-4,10,12-13H2,(H,17,18)/b6-5+,8-7+/t14-/m1/s1
InChIKeySFYGSTIPSPXXPW-WXJWXOSTSA-N
MW246.31 g/mol
LogP2.13
Rot. Bonds7

About (5S,8E,10E)-5-hydroxypentadeca-8,10-dien-6,14-diynoic acid

(5S,8E,10E)-5-hydroxypentadeca-8,10-dien-6,14-diynoic acid (PubChem CID 45275265) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is (5S,8E,10E)-5-hydroxypentadeca-8,10-dien-6,14-diynoic acid.

Molecular Properties

Compound Name(5S,8E,10E)-5-hydroxypentadeca-8,10-dien-6,14-diynoic acid
PubChem CID45275265
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name(5S,8E,10E)-5-hydroxypentadeca-8,10-dien-6,14-diynoic acid
SMILESC#CCC/C=C/C=C/C#C[C@@H](O)CCCC(=O)O
InChIInChI=1S/C15H18O3/c1-2-3-4-5-6-7-8-9-11-14(16)12-10-13-15(17)18/h1,5-8,14,16H,3-4,10,12-13H2,(H,17,18)/b6-5+,8-7+/t14-/m1/s1
InChIKeySFYGSTIPSPXXPW-WXJWXOSTSA-N
XLogP2.13
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E,12R)-12-hydroxyheptadec-8-en-10-ynoic acid
CID 125496148
sodium;(5S,8E,10E,12R)-5,12-dihydroxypentadeca-8,10-dien-6,14-diynoate;(5S,8E,10E,12R)-5,12-dihydroxypentadeca-8,10-dien-6,14-diynoic acid;propan-2-yl (5S,8E,10E,12R)-5,12-dihydroxypentadeca-8,10-dien-6,14-diynoate
CID 161439169
(6S,9E,11E,13R)-6,13-dihydroxyhexadeca-9,11-dien-7,15-diyn-2-one;rhenium;rutherfordium
CID 59003870
ethane;(5S,8E,10E,12R,16E,18R)-5,12,18-trihydroxyicosa-8,10,16-trien-6,14-diynoic acid
CID 91433711
(5R,8E,10E,12R)-13-(4-fluorophenyl)-5,12-dihydroxytrideca-8,10-dien-6-ynoic acid
CID 46872409
5-[2-[(E)-7-hydroxydodec-3-en-5-ynyl]cyclopropyl]pentanoic acid
CID 23523133
ethylamino (5R,8E,10E,12R)-5,12-dihydroxypentadeca-8,10-dien-6,14-diynoate
CID 163571161
(16Z,19Z,23Z,25Z,31Z)-22,29-dihydroxytetratriaconta-16,19,23,25,31-pentaen-27-ynoic acid
CID 135338294
hexadeca-6,8,14-trien-10,12-diynoic acid
CID 85034016
(6E,10E,12E)-15-hydroxyicosa-6,10,12-trien-8-ynoic acid
CID 170371488
ethyl (5S,8E,10E,12R)-5,12-dihydroxytetradeca-8,10-dien-6-ynoate
CID 58373595
hexane-1,1-diol;bis(pent-4-ynoic acid)
CID 87989785

Frequently Asked Questions

What is the IUPAC name of (5S,8E,10E)-5-hydroxypentadeca-8,10-dien-6,14-diynoic acid?
The IUPAC name of (5S,8E,10E)-5-hydroxypentadeca-8,10-dien-6,14-diynoic acid (CID 45275265) is (5S,8E,10E)-5-hydroxypentadeca-8,10-dien-6,14-diynoic acid.
What is the SMILES notation for (5S,8E,10E)-5-hydroxypentadeca-8,10-dien-6,14-diynoic acid?
The canonical SMILES for (5S,8E,10E)-5-hydroxypentadeca-8,10-dien-6,14-diynoic acid is C#CCC/C=C/C=C/C#C[C@@H](O)CCCC(=O)O.
What is the InChIKey of (5S,8E,10E)-5-hydroxypentadeca-8,10-dien-6,14-diynoic acid?
The InChIKey is SFYGSTIPSPXXPW-WXJWXOSTSA-N. The full InChI is InChI=1S/C15H18O3/c1-2-3-4-5-6-7-8-9-11-14(16)12-10-13-15(17)18/h1,5-8,14,16H,3-4,10,12-13H2,(H,17,18)/b6-5+,8-7+/t14-/m1/s1.
What are the key properties of (5S,8E,10E)-5-hydroxypentadeca-8,10-dien-6,14-diynoic acid?
(5S,8E,10E)-5-hydroxypentadeca-8,10-dien-6,14-diynoic acid has a molecular weight of 246.31 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8E,10E)-5-hydroxypentadeca-8,10-dien-6,14-diynoic acid is sourced from PubChem (CID 45275265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).