(7R)-hexatriacontan-7-ol

C36H74O — CID 88529159

IUPAC(7R)-hexatriacontan-7-ol
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[C@H](O)CCCCCC
InChIInChI=1S/C36H74O/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-36(37)34-32-8-6-4-2/h36-37H,3-35H2,1-2H3/t36-/m1/s1
InChIKeyTZZOAYSKDSFCLA-PSXMRANNSA-N
MW522.99 g/mol
LogP13.26
Rot. Bonds33

About (7R)-hexatriacontan-7-ol

(7R)-hexatriacontan-7-ol (PubChem CID 88529159) has the molecular formula C36H74O and a molecular weight of 522.99 g/mol. Its IUPAC name is (7R)-hexatriacontan-7-ol.

Molecular Properties

Compound Name(7R)-hexatriacontan-7-ol
PubChem CID88529159
Molecular FormulaC36H74O
Molecular Weight522.99 g/mol
Exact Mass522.57
IUPAC Name(7R)-hexatriacontan-7-ol
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[C@H](O)CCCCCC
InChIInChI=1S/C36H74O/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-36(37)34-32-8-6-4-2/h36-37H,3-35H2,1-2H3/t36-/m1/s1
InChIKeyTZZOAYSKDSFCLA-PSXMRANNSA-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
CID 174949468
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
tetratetracontan-22-ol
CID 91434437
(5S)-octadecan-5-ol
CID 98231191
tritetracontan-5-ol
CID 162898528
icosane-5,11-diol
CID 170722582
icosane-5,10-diol
CID 170722579
octadecane-8,11-diol
CID 101412726

Frequently Asked Questions

What is the IUPAC name of (7R)-hexatriacontan-7-ol?
The IUPAC name of (7R)-hexatriacontan-7-ol (CID 88529159) is (7R)-hexatriacontan-7-ol.
What is the SMILES notation for (7R)-hexatriacontan-7-ol?
The canonical SMILES for (7R)-hexatriacontan-7-ol is CCCCCCCCCCCCCCCCCCCCCCCCCCCCC[C@H](O)CCCCCC.
What is the InChIKey of (7R)-hexatriacontan-7-ol?
The InChIKey is TZZOAYSKDSFCLA-PSXMRANNSA-N. The full InChI is InChI=1S/C36H74O/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-36(37)34-32-8-6-4-2/h36-37H,3-35H2,1-2H3/t36-/m1/s1.
What are the key properties of (7R)-hexatriacontan-7-ol?
(7R)-hexatriacontan-7-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 (7R)-hexatriacontan-7-ol is sourced from PubChem (CID 88529159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).