(4E,15Z)-triaconta-4,15-dien-1,12,18,29-tetrayne-3,28-diol

C30H42O2 — CID 5470604

IUPAC(4E,15Z)-triaconta-4,15-dien-1,12,18,29-tetrayne-3,28-diol
SMILESC#CC(O)/C=C/CCCCCCC#CC/C=C\CC#CCCCCCCCCC(O)C#C
InChIInChI=1S/C30H42O2/c1-3-29(31)27-25-23-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24-26-28-30(32)4-2/h1-2,5-6,25,27,29-32H,7-8,13-24,26,28H2/b6-5-,27-25+
InChIKeyJXQKKFJMXWVGJQ-VBPYNGQDSA-N
MW434.66 g/mol
LogP6.34
Rot. Bonds17

About (4E,15Z)-triaconta-4,15-dien-1,12,18,29-tetrayne-3,28-diol

(4E,15Z)-triaconta-4,15-dien-1,12,18,29-tetrayne-3,28-diol (PubChem CID 5470604) has the molecular formula C30H42O2 and a molecular weight of 434.66 g/mol. Its IUPAC name is (4E,15Z)-triaconta-4,15-dien-1,12,18,29-tetrayne-3,28-diol.

Molecular Properties

Compound Name(4E,15Z)-triaconta-4,15-dien-1,12,18,29-tetrayne-3,28-diol
PubChem CID5470604
Molecular FormulaC30H42O2
Molecular Weight434.66 g/mol
Exact Mass434.32
IUPAC Name(4E,15Z)-triaconta-4,15-dien-1,12,18,29-tetrayne-3,28-diol
SMILESC#CC(O)/C=C/CCCCCCC#CC/C=C\CC#CCCCCCCCCC(O)C#C
InChIInChI=1S/C30H42O2/c1-3-29(31)27-25-23-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24-26-28-30(32)4-2/h1-2,5-6,25,27,29-32H,7-8,13-24,26,28H2/b6-5-,27-25+
InChIKeyJXQKKFJMXWVGJQ-VBPYNGQDSA-N
XLogP6.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.66
LogP ≤ 56.34
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E,15Z)-triaconta-4,15-dien-1,12,18,29-tetrayne-3,28-diol?
The IUPAC name of (4E,15Z)-triaconta-4,15-dien-1,12,18,29-tetrayne-3,28-diol (CID 5470604) is (4E,15Z)-triaconta-4,15-dien-1,12,18,29-tetrayne-3,28-diol.
What is the SMILES notation for (4E,15Z)-triaconta-4,15-dien-1,12,18,29-tetrayne-3,28-diol?
The canonical SMILES for (4E,15Z)-triaconta-4,15-dien-1,12,18,29-tetrayne-3,28-diol is C#CC(O)/C=C/CCCCCCC#CC/C=C\CC#CCCCCCCCCC(O)C#C.
What is the InChIKey of (4E,15Z)-triaconta-4,15-dien-1,12,18,29-tetrayne-3,28-diol?
The InChIKey is JXQKKFJMXWVGJQ-VBPYNGQDSA-N. The full InChI is InChI=1S/C30H42O2/c1-3-29(31)27-25-23-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24-26-28-30(32)4-2/h1-2,5-6,25,27,29-32H,7-8,13-24,26,28H2/b6-5-,27-25+.
What are the key properties of (4E,15Z)-triaconta-4,15-dien-1,12,18,29-tetrayne-3,28-diol?
(4E,15Z)-triaconta-4,15-dien-1,12,18,29-tetrayne-3,28-diol has a molecular weight of 434.66 g/mol, XLogP of 6.34, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,15Z)-triaconta-4,15-dien-1,12,18,29-tetrayne-3,28-diol is sourced from PubChem (CID 5470604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).