hexatriacont-17-en-18-ol

C36H72O — CID 173290872

IUPAChexatriacont-17-en-18-ol
SMILESCCCCCCCCCCCCCCCCC=C(O)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C36H72O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34,37H,3-33,35H2,1-2H3
InChIKeyVBDVABPMOSDPEO-UHFFFAOYSA-N
MW520.97 g/mol
LogP13.95
Rot. Bonds32

About hexatriacont-17-en-18-ol

hexatriacont-17-en-18-ol (PubChem CID 173290872) has the molecular formula C36H72O and a molecular weight of 520.97 g/mol. Its IUPAC name is hexatriacont-17-en-18-ol.

Molecular Properties

Compound Namehexatriacont-17-en-18-ol
PubChem CID173290872
Molecular FormulaC36H72O
Molecular Weight520.97 g/mol
Exact Mass520.56
IUPAC Namehexatriacont-17-en-18-ol
SMILESCCCCCCCCCCCCCCCCC=C(O)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C36H72O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34,37H,3-33,35H2,1-2H3
InChIKeyVBDVABPMOSDPEO-UHFFFAOYSA-N
XLogP13.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds32
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.97
LogP ≤ 513.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 156905019
(Z)-tetradec-5-en-5-ol
CID 129379563
4-hydroxytetradec-4-enoic acid
CID 88697585
undec-1-ene-1,1-diol
CID 87556705
(Z)-pentadec-2-en-3-ol
CID 141060609
(E)-10-methylnonadec-9-ene
CID 5364653
6-methyldocos-6-ene
CID 629460
(E)-9-methylnonadec-9-ene
CID 14783585
7-methylhenicos-7-ene
CID 173033031
7-methyloctadec-7-ene
CID 123477460
(E)-2-octyldec-2-enoic acid
CID 87824483
4-hydroxyicos-3-enoic acid
CID 88697964

Frequently Asked Questions

What is the IUPAC name of hexatriacont-17-en-18-ol?
The IUPAC name of hexatriacont-17-en-18-ol (CID 173290872) is hexatriacont-17-en-18-ol.
What is the SMILES notation for hexatriacont-17-en-18-ol?
The canonical SMILES for hexatriacont-17-en-18-ol is CCCCCCCCCCCCCCCCC=C(O)CCCCCCCCCCCCCCCCCC.
What is the InChIKey of hexatriacont-17-en-18-ol?
The InChIKey is VBDVABPMOSDPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H72O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34,37H,3-33,35H2,1-2H3.
What are the key properties of hexatriacont-17-en-18-ol?
hexatriacont-17-en-18-ol has a molecular weight of 520.97 g/mol, XLogP of 13.95, 32 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexatriacont-17-en-18-ol is sourced from PubChem (CID 173290872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).