(17S)-pentatriacont-1-en-17-ol

C35H70O — CID 162880162

IUPAC(17S)-pentatriacont-1-en-17-ol
SMILESC=CCCCCCCCCCCCCCC[C@@H](O)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C35H70O/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-35(36)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h4,35-36H,2-3,5-34H2,1H3/t35-/m1/s1
InChIKeyCIGABSSITZRXBD-PGUFJCEWSA-N
MW506.94 g/mol
LogP12.65
Rot. Bonds32

About (17S)-pentatriacont-1-en-17-ol

(17S)-pentatriacont-1-en-17-ol (PubChem CID 162880162) has the molecular formula C35H70O and a molecular weight of 506.94 g/mol. Its IUPAC name is (17S)-pentatriacont-1-en-17-ol.

Molecular Properties

Compound Name(17S)-pentatriacont-1-en-17-ol
PubChem CID162880162
Molecular FormulaC35H70O
Molecular Weight506.94 g/mol
Exact Mass506.54
IUPAC Name(17S)-pentatriacont-1-en-17-ol
SMILESC=CCCCCCCCCCCCCCC[C@@H](O)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C35H70O/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-35(36)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h4,35-36H,2-3,5-34H2,1H3/t35-/m1/s1
InChIKeyCIGABSSITZRXBD-PGUFJCEWSA-N
XLogP12.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds32
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.94
LogP ≤ 512.65
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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Frequently Asked Questions

What is the IUPAC name of (17S)-pentatriacont-1-en-17-ol?
The IUPAC name of (17S)-pentatriacont-1-en-17-ol (CID 162880162) is (17S)-pentatriacont-1-en-17-ol.
What is the SMILES notation for (17S)-pentatriacont-1-en-17-ol?
The canonical SMILES for (17S)-pentatriacont-1-en-17-ol is C=CCCCCCCCCCCCCCC[C@@H](O)CCCCCCCCCCCCCCCCCC.
What is the InChIKey of (17S)-pentatriacont-1-en-17-ol?
The InChIKey is CIGABSSITZRXBD-PGUFJCEWSA-N. The full InChI is InChI=1S/C35H70O/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-35(36)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h4,35-36H,2-3,5-34H2,1H3/t35-/m1/s1.
What are the key properties of (17S)-pentatriacont-1-en-17-ol?
(17S)-pentatriacont-1-en-17-ol has a molecular weight of 506.94 g/mol, XLogP of 12.65, 32 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (17S)-pentatriacont-1-en-17-ol is sourced from PubChem (CID 162880162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).