octatriacont-11-en-12-ol

C38H76O — CID 156905019

IUPACoctatriacont-11-en-12-ol
SMILESCCCCCCCCCCC=C(O)CCCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C38H76O/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-38(39)36-34-32-30-28-12-10-8-6-4-2/h36,39H,3-35,37H2,1-2H3
InChIKeyAVBKNJWEFWCVHX-UHFFFAOYSA-N
MW549.03 g/mol
LogP14.73
Rot. Bonds34

About octatriacont-11-en-12-ol

octatriacont-11-en-12-ol (PubChem CID 156905019) has the molecular formula C38H76O and a molecular weight of 549.03 g/mol. Its IUPAC name is octatriacont-11-en-12-ol.

Molecular Properties

Compound Nameoctatriacont-11-en-12-ol
PubChem CID156905019
Molecular FormulaC38H76O
Molecular Weight549.03 g/mol
Exact Mass548.59
IUPAC Nameoctatriacont-11-en-12-ol
SMILESCCCCCCCCCCC=C(O)CCCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C38H76O/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-38(39)36-34-32-30-28-12-10-8-6-4-2/h36,39H,3-35,37H2,1-2H3
InChIKeyAVBKNJWEFWCVHX-UHFFFAOYSA-N
XLogP14.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds34
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.03
LogP ≤ 514.73
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

hexatriacont-17-en-18-ol
CID 173290872
(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
7-methyloctadec-7-ene
CID 123477460
6-methyldocos-6-ene
CID 629460
(E)-9-methylnonadec-9-ene
CID 14783585
7-methylhenicos-7-ene
CID 173033031
(E)-2-octyldec-2-enoic acid
CID 87824483
4-hydroxyicos-3-enoic acid
CID 88697964

Frequently Asked Questions

What is the IUPAC name of octatriacont-11-en-12-ol?
The IUPAC name of octatriacont-11-en-12-ol (CID 156905019) is octatriacont-11-en-12-ol.
What is the SMILES notation for octatriacont-11-en-12-ol?
The canonical SMILES for octatriacont-11-en-12-ol is CCCCCCCCCCC=C(O)CCCCCCCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of octatriacont-11-en-12-ol?
The InChIKey is AVBKNJWEFWCVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H76O/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-38(39)36-34-32-30-28-12-10-8-6-4-2/h36,39H,3-35,37H2,1-2H3.
What are the key properties of octatriacont-11-en-12-ol?
octatriacont-11-en-12-ol has a molecular weight of 549.03 g/mol, XLogP of 14.73, 34 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octatriacont-11-en-12-ol is sourced from PubChem (CID 156905019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).