hexatriacontan-17-ol

C36H74O — CID 3020851

IUPAChexatriacontan-17-ol
SMILESCCCCCCCCCCCCCCCCCCCC(O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C36H74O/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-36(37)34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h36-37H,3-35H2,1-2H3
InChIKeyXFHYBLDFZAHMTK-UHFFFAOYSA-N
MW522.99 g/mol
LogP13.26
Rot. Bonds33

About hexatriacontan-17-ol

hexatriacontan-17-ol (PubChem CID 3020851) has the molecular formula C36H74O and a molecular weight of 522.99 g/mol. Its IUPAC name is hexatriacontan-17-ol.

Molecular Properties

Compound Namehexatriacontan-17-ol
PubChem CID3020851
Molecular FormulaC36H74O
Molecular Weight522.99 g/mol
Exact Mass522.57
IUPAC Namehexatriacontan-17-ol
SMILESCCCCCCCCCCCCCCCCCCCC(O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C36H74O/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-36(37)34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h36-37H,3-35H2,1-2H3
InChIKeyXFHYBLDFZAHMTK-UHFFFAOYSA-N
XLogP13.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds33
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.99
LogP ≤ 513.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

nonacosane-7,20-diol
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(7R)-hexatriacontan-7-ol
CID 88529159
icosan-9-ol
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tetracosan-6-ol
CID 154265400
icosan-6-ol
CID 19931277
octacosan-10-ol
CID 22568705
tetratetracontan-22-ol
CID 91434437
icosane-5,11-diol
CID 170722582
(5S)-octadecan-5-ol
CID 98231191
tritetracontan-5-ol
CID 162898528
icosane-5,10-diol
CID 170722579
octadecane-8,11-diol
CID 101412726

Frequently Asked Questions

What is the IUPAC name of hexatriacontan-17-ol?
The IUPAC name of hexatriacontan-17-ol (CID 3020851) is hexatriacontan-17-ol.
What is the SMILES notation for hexatriacontan-17-ol?
The canonical SMILES for hexatriacontan-17-ol is CCCCCCCCCCCCCCCCCCCC(O)CCCCCCCCCCCCCCCC.
What is the InChIKey of hexatriacontan-17-ol?
The InChIKey is XFHYBLDFZAHMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H74O/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-36(37)34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h36-37H,3-35H2,1-2H3.
What are the key properties of hexatriacontan-17-ol?
hexatriacontan-17-ol has a molecular weight of 522.99 g/mol, XLogP of 13.26, 33 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexatriacontan-17-ol is sourced from PubChem (CID 3020851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).