(Z)-32-hydroxydotriacont-23-enoic acid

C32H62O3 — CID 13377993

IUPAC(Z)-32-hydroxydotriacont-23-enoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCCCCCC/C=C\CCCCCCCCO
InChIInChI=1S/C32H62O3/c33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32(34)35/h13,15,33H,1-12,14,16-31H2,(H,34,35)/b15-13-
InChIKeyGTLBVEIHOOYATE-SQFISAMPSA-N
MW494.85 g/mol
LogP10.54
Rot. Bonds30

About (Z)-32-hydroxydotriacont-23-enoic acid

(Z)-32-hydroxydotriacont-23-enoic acid (PubChem CID 13377993) has the molecular formula C32H62O3 and a molecular weight of 494.85 g/mol. Its IUPAC name is (Z)-32-hydroxydotriacont-23-enoic acid.

Molecular Properties

Compound Name(Z)-32-hydroxydotriacont-23-enoic acid
PubChem CID13377993
Molecular FormulaC32H62O3
Molecular Weight494.85 g/mol
Exact Mass494.47
IUPAC Name(Z)-32-hydroxydotriacont-23-enoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCCCCCC/C=C\CCCCCCCCO
InChIInChI=1S/C32H62O3/c33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32(34)35/h13,15,33H,1-12,14,16-31H2,(H,34,35)/b15-13-
InChIKeyGTLBVEIHOOYATE-SQFISAMPSA-N
XLogP10.54
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds30
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.85
LogP ≤ 510.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 165358734
14-hydroxytetradec-5-enoic acid
CID 78383968
20-hydroxyicosa-5,14-dienoic acid
CID 85146176
(14E,17E)-28-hydroxyoctacosa-14,17-dienoic acid
CID 18981442
(11E,14E)-22-hydroxydocosa-11,14-dienoic acid
CID 18981383
tetradec-6-enedioic acid
CID 151545129
(9Z,30Z)-nonatriaconta-9,30-dienedioic acid
CID 151731001
(9Z,33Z)-dotetraconta-9,33-dienedioic acid
CID 87211353
nonatriaconta-9,30-dienedioic acid
CID 151730999
hexadecanoic acid;(Z)-octadec-9-en-1-ol
CID 174574592
docosanoic acid;(Z)-docos-13-en-1-ol
CID 174511877
(Z)-docos-13-en-1-ol;tetradecanoic acid
CID 175083189

Frequently Asked Questions

What is the IUPAC name of (Z)-32-hydroxydotriacont-23-enoic acid?
The IUPAC name of (Z)-32-hydroxydotriacont-23-enoic acid (CID 13377993) is (Z)-32-hydroxydotriacont-23-enoic acid.
What is the SMILES notation for (Z)-32-hydroxydotriacont-23-enoic acid?
The canonical SMILES for (Z)-32-hydroxydotriacont-23-enoic acid is O=C(O)CCCCCCCCCCCCCCCCCCCCC/C=C\CCCCCCCCO.
What is the InChIKey of (Z)-32-hydroxydotriacont-23-enoic acid?
The InChIKey is GTLBVEIHOOYATE-SQFISAMPSA-N. The full InChI is InChI=1S/C32H62O3/c33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32(34)35/h13,15,33H,1-12,14,16-31H2,(H,34,35)/b15-13-.
What are the key properties of (Z)-32-hydroxydotriacont-23-enoic acid?
(Z)-32-hydroxydotriacont-23-enoic acid has a molecular weight of 494.85 g/mol, XLogP of 10.54, 30 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-32-hydroxydotriacont-23-enoic acid is sourced from PubChem (CID 13377993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).