30-hydroxytriaconta-3,13,18,21-tetraenal

C30H52O2 — CID 54434513

IUPAC30-hydroxytriaconta-3,13,18,21-tetraenal
SMILESO=CCC=CCCCCCCCCC=CCCCC=CCC=CCCCCCCCCO
InChIInChI=1S/C30H52O2/c31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32/h3,5-6,8,12,14,23,25,29,32H,1-2,4,7,9-11,13,15-22,24,26-28,30H2
InChIKeyWJUJYLSACOYSAY-UHFFFAOYSA-N
MW444.74 g/mol
LogP9.20
Rot. Bonds25

About 30-hydroxytriaconta-3,13,18,21-tetraenal

30-hydroxytriaconta-3,13,18,21-tetraenal (PubChem CID 54434513) has the molecular formula C30H52O2 and a molecular weight of 444.74 g/mol. Its IUPAC name is 30-hydroxytriaconta-3,13,18,21-tetraenal.

Molecular Properties

Compound Name30-hydroxytriaconta-3,13,18,21-tetraenal
PubChem CID54434513
Molecular FormulaC30H52O2
Molecular Weight444.74 g/mol
Exact Mass444.40
IUPAC Name30-hydroxytriaconta-3,13,18,21-tetraenal
SMILESO=CCC=CCCCCCCCCC=CCCCC=CCC=CCCCCCCCCO
InChIInChI=1S/C30H52O2/c31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32/h3,5-6,8,12,14,23,25,29,32H,1-2,4,7,9-11,13,15-22,24,26-28,30H2
InChIKeyWJUJYLSACOYSAY-UHFFFAOYSA-N
XLogP9.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.74
LogP ≤ 59.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-18-hydroxyoctadec-9-enal
CID 173172919
(9Z,12Z)-18-[(6Z,9Z)-18-hydroxyoctadeca-6,9-dienoxy]octadeca-9,12-dienal
CID 170322636
hexadec-8-ene-1,16-diol
CID 54395986
20-hydroxyicosa-2,5-dienoic acid
CID 91232457
(9E,12E,15E)-octadeca-9,12,15-trien-1-ol
CID 5367327
henicosa-6,9,12,15,18-pentaen-1-ol
CID 90716675
pentadeca-6,9-dien-1-ol
CID 548865
undeca-6,9-dien-1-ol
CID 54169368
(7Z,10Z)-hexadeca-7,10-dien-1-ol
CID 129115258
(7Z,11Z)-octadeca-7,11-diene-1,18-diol
CID 171904791
(3Z,6Z)-12-hydroxydodeca-3,6-dienoic acid
CID 5312748
(14E,17E)-28-hydroxyoctacosa-14,17-dienoic acid
CID 18981442

Frequently Asked Questions

What is the IUPAC name of 30-hydroxytriaconta-3,13,18,21-tetraenal?
The IUPAC name of 30-hydroxytriaconta-3,13,18,21-tetraenal (CID 54434513) is 30-hydroxytriaconta-3,13,18,21-tetraenal.
What is the SMILES notation for 30-hydroxytriaconta-3,13,18,21-tetraenal?
The canonical SMILES for 30-hydroxytriaconta-3,13,18,21-tetraenal is O=CCC=CCCCCCCCCC=CCCCC=CCC=CCCCCCCCCO.
What is the InChIKey of 30-hydroxytriaconta-3,13,18,21-tetraenal?
The InChIKey is WJUJYLSACOYSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H52O2/c31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32/h3,5-6,8,12,14,23,25,29,32H,1-2,4,7,9-11,13,15-22,24,26-28,30H2.
What are the key properties of 30-hydroxytriaconta-3,13,18,21-tetraenal?
30-hydroxytriaconta-3,13,18,21-tetraenal has a molecular weight of 444.74 g/mol, XLogP of 9.20, 25 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 30-hydroxytriaconta-3,13,18,21-tetraenal is sourced from PubChem (CID 54434513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).