(E)-hentetracont-36-en-5-ol

C41H82O — CID 87492179

IUPAC(E)-hentetracont-36-en-5-ol
SMILESCCCC/C=C/CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)CCCC
InChIInChI=1S/C41H82O/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-41(42)39-6-4-2/h8-9,41-42H,3-7,10-40H2,1-2H3/b9-8+
InChIKeyOUGXUWGBKKRSCD-CMDGGOBGSA-N
MW591.11 g/mol
LogP14.99
Rot. Bonds37

About (E)-hentetracont-36-en-5-ol

(E)-hentetracont-36-en-5-ol (PubChem CID 87492179) has the molecular formula C41H82O and a molecular weight of 591.11 g/mol. Its IUPAC name is (E)-hentetracont-36-en-5-ol.

Molecular Properties

Compound Name(E)-hentetracont-36-en-5-ol
PubChem CID87492179
Molecular FormulaC41H82O
Molecular Weight591.11 g/mol
Exact Mass590.64
IUPAC Name(E)-hentetracont-36-en-5-ol
SMILESCCCC/C=C/CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)CCCC
InChIInChI=1S/C41H82O/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-41(42)39-6-4-2/h8-9,41-42H,3-7,10-40H2,1-2H3/b9-8+
InChIKeyOUGXUWGBKKRSCD-CMDGGOBGSA-N
XLogP14.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds37
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.11
LogP ≤ 514.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of (E)-hentetracont-36-en-5-ol?
The IUPAC name of (E)-hentetracont-36-en-5-ol (CID 87492179) is (E)-hentetracont-36-en-5-ol.
What is the SMILES notation for (E)-hentetracont-36-en-5-ol?
The canonical SMILES for (E)-hentetracont-36-en-5-ol is CCCC/C=C/CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)CCCC.
What is the InChIKey of (E)-hentetracont-36-en-5-ol?
The InChIKey is OUGXUWGBKKRSCD-CMDGGOBGSA-N. The full InChI is InChI=1S/C41H82O/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-41(42)39-6-4-2/h8-9,41-42H,3-7,10-40H2,1-2H3/b9-8+.
What are the key properties of (E)-hentetracont-36-en-5-ol?
(E)-hentetracont-36-en-5-ol has a molecular weight of 591.11 g/mol, XLogP of 14.99, 37 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-hentetracont-36-en-5-ol is sourced from PubChem (CID 87492179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).