(3R,4E,15Z,28S,29Z)-dotriaconta-4,15,29-trien-1,31-diyne-3,28-diol

C32H52O2 — CID 53355024

IUPAC(3R,4E,15Z,28S,29Z)-dotriaconta-4,15,29-trien-1,31-diyne-3,28-diol
SMILESC#C/C=C\[C@@H](O)CCCCCCCCCCC/C=C\CCCCCCCCC/C=C/[C@@H](O)C#C
InChIInChI=1S/C32H52O2/c1-3-5-28-32(34)30-27-25-23-21-19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-22-24-26-29-31(33)4-2/h1-2,5-7,26,28-29,31-34H,8-25,27,30H2/b7-6-,28-5-,29-26+/t31-,32+/m0/s1
InChIKeyVIAGOLXCGUWNRZ-INHMWYDMSA-N
MW468.77 g/mol
LogP8.45
Rot. Bonds24

About (3R,4E,15Z,28S,29Z)-dotriaconta-4,15,29-trien-1,31-diyne-3,28-diol

(3R,4E,15Z,28S,29Z)-dotriaconta-4,15,29-trien-1,31-diyne-3,28-diol (PubChem CID 53355024) has the molecular formula C32H52O2 and a molecular weight of 468.77 g/mol. Its IUPAC name is (3R,4E,15Z,28S,29Z)-dotriaconta-4,15,29-trien-1,31-diyne-3,28-diol.

Molecular Properties

Compound Name(3R,4E,15Z,28S,29Z)-dotriaconta-4,15,29-trien-1,31-diyne-3,28-diol
PubChem CID53355024
Molecular FormulaC32H52O2
Molecular Weight468.77 g/mol
Exact Mass468.40
IUPAC Name(3R,4E,15Z,28S,29Z)-dotriaconta-4,15,29-trien-1,31-diyne-3,28-diol
SMILESC#C/C=C\[C@@H](O)CCCCCCCCCCC/C=C\CCCCCCCCC/C=C/[C@@H](O)C#C
InChIInChI=1S/C32H52O2/c1-3-5-28-32(34)30-27-25-23-21-19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-22-24-26-29-31(33)4-2/h1-2,5-7,26,28-29,31-34H,8-25,27,30H2/b7-6-,28-5-,29-26+/t31-,32+/m0/s1
InChIKeyVIAGOLXCGUWNRZ-INHMWYDMSA-N
XLogP8.45
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.77
LogP ≤ 58.45
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'}

Analyze (3R,4E,15Z,28S,29Z)-dotriaconta-4,15,29-trien-1,31-diyne-3,28-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(8Z)-(+)-1,8-Heptadecadiene-4,6-diyne-3,10-diol
CID 6438621
Triangulyne A
CID 5469810
(-)-Petrosynoic Acid D
CID 71659021
Dendroarboreol B
CID 5469788
Virol C
CID 11108150
Ginsenoyne K
CID 15736266
Pellynol D
CID 10553995
Pellynol C
CID 10696478
(-)-Pellynol A
CID 11799453
(3S,4E,16E,18S)-icosa-4,16-dien-1,19-diyne-3,18-diol
CID 11055776
(-)-Duryne
CID 24786700
(-)-Duryne B
CID 53354921

Frequently Asked Questions

What is the IUPAC name of (3R,4E,15Z,28S,29Z)-dotriaconta-4,15,29-trien-1,31-diyne-3,28-diol?
The IUPAC name of (3R,4E,15Z,28S,29Z)-dotriaconta-4,15,29-trien-1,31-diyne-3,28-diol (CID 53355024) is (3R,4E,15Z,28S,29Z)-dotriaconta-4,15,29-trien-1,31-diyne-3,28-diol.
What is the SMILES notation for (3R,4E,15Z,28S,29Z)-dotriaconta-4,15,29-trien-1,31-diyne-3,28-diol?
The canonical SMILES for (3R,4E,15Z,28S,29Z)-dotriaconta-4,15,29-trien-1,31-diyne-3,28-diol is C#C/C=C\[C@@H](O)CCCCCCCCCCC/C=C\CCCCCCCCC/C=C/[C@@H](O)C#C.
What is the InChIKey of (3R,4E,15Z,28S,29Z)-dotriaconta-4,15,29-trien-1,31-diyne-3,28-diol?
The InChIKey is VIAGOLXCGUWNRZ-INHMWYDMSA-N. The full InChI is InChI=1S/C32H52O2/c1-3-5-28-32(34)30-27-25-23-21-19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-22-24-26-29-31(33)4-2/h1-2,5-7,26,28-29,31-34H,8-25,27,30H2/b7-6-,28-5-,29-26+/t31-,32+/m0/s1.
What are the key properties of (3R,4E,15Z,28S,29Z)-dotriaconta-4,15,29-trien-1,31-diyne-3,28-diol?
(3R,4E,15Z,28S,29Z)-dotriaconta-4,15,29-trien-1,31-diyne-3,28-diol has a molecular weight of 468.77 g/mol, XLogP of 8.45, 24 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4E,15Z,28S,29Z)-dotriaconta-4,15,29-trien-1,31-diyne-3,28-diol is sourced from PubChem (CID 53355024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).