4-methyltetratriacontan-3-ol

C35H72O — CID 170847937

IUPAC4-methyltetratriacontan-3-ol
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C(O)CC
InChIInChI=1S/C35H72O/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34(3)35(36)5-2/h34-36H,4-33H2,1-3H3
InChIKeyDFQXBTWKFADHPW-UHFFFAOYSA-N
MW508.96 g/mol
LogP12.73
Rot. Bonds31

About 4-methyltetratriacontan-3-ol

4-methyltetratriacontan-3-ol (PubChem CID 170847937) has the molecular formula C35H72O and a molecular weight of 508.96 g/mol. Its IUPAC name is 4-methyltetratriacontan-3-ol.

Molecular Properties

Compound Name4-methyltetratriacontan-3-ol
PubChem CID170847937
Molecular FormulaC35H72O
Molecular Weight508.96 g/mol
Exact Mass508.56
IUPAC Name4-methyltetratriacontan-3-ol
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C(O)CC
InChIInChI=1S/C35H72O/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34(3)35(36)5-2/h34-36H,4-33H2,1-3H3
InChIKeyDFQXBTWKFADHPW-UHFFFAOYSA-N
XLogP12.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds31
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.96
LogP ≤ 512.73
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

4-methyltricosan-3-ol
CID 171485506
7-methylhexadecan-8-ol
CID 122652609
8-methyltetradecan-7-ol
CID 88908615
1-amino-3-methylundecan-2-ol
CID 123763620
4-methyltetradecan-5-ol
CID 65149403
(2R,3R)-3-methylpentadecan-2-ol
CID 94864867
(4R)-4-methylheptan-3-ol
CID 12799251
11,12-dimethyloctacosane
CID 23345853
8,9-dimethylhexacosane
CID 160651612
11,12-dimethyltricosane
CID 173430605
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619

Frequently Asked Questions

What is the IUPAC name of 4-methyltetratriacontan-3-ol?
The IUPAC name of 4-methyltetratriacontan-3-ol (CID 170847937) is 4-methyltetratriacontan-3-ol.
What is the SMILES notation for 4-methyltetratriacontan-3-ol?
The canonical SMILES for 4-methyltetratriacontan-3-ol is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C(O)CC.
What is the InChIKey of 4-methyltetratriacontan-3-ol?
The InChIKey is DFQXBTWKFADHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H72O/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34(3)35(36)5-2/h34-36H,4-33H2,1-3H3.
What are the key properties of 4-methyltetratriacontan-3-ol?
4-methyltetratriacontan-3-ol has a molecular weight of 508.96 g/mol, XLogP of 12.73, 31 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyltetratriacontan-3-ol is sourced from PubChem (CID 170847937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).