heptatriacontan-1-ol

C37H76O — CID 537071

IUPACheptatriacontan-1-ol
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C37H76O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38/h38H,2-37H2,1H3
InChIKeyZGJKNMPTVDDRRH-UHFFFAOYSA-N
MW537.01 g/mol
LogP13.65
Rot. Bonds35

About heptatriacontan-1-ol

heptatriacontan-1-ol (PubChem CID 537071) has the molecular formula C37H76O and a molecular weight of 537.01 g/mol. Its IUPAC name is heptatriacontan-1-ol.

Molecular Properties

Compound Nameheptatriacontan-1-ol
PubChem CID537071
Molecular FormulaC37H76O
Molecular Weight537.01 g/mol
Exact Mass536.59
IUPAC Nameheptatriacontan-1-ol
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C37H76O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38/h38H,2-37H2,1H3
InChIKeyZGJKNMPTVDDRRH-UHFFFAOYSA-N
XLogP13.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds35
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.01
LogP ≤ 513.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze heptatriacontan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
heptan-1-ol;nonan-1-ol
CID 160785033
undecan-1-ol
CID 122455065
hexan-1-ol;nonan-1-ol
CID 159104620
nonan-1-ol;tetradecan-1-ol
CID 174944242
hexan-1-ol;nonane
CID 175106830
octan-1-ol;pentane-1,5-diol
CID 174867151
hexadecane;hexadecan-1-ol
CID 22418546

Frequently Asked Questions

What is the IUPAC name of heptatriacontan-1-ol?
The IUPAC name of heptatriacontan-1-ol (CID 537071) is heptatriacontan-1-ol.
What is the SMILES notation for heptatriacontan-1-ol?
The canonical SMILES for heptatriacontan-1-ol is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO.
What is the InChIKey of heptatriacontan-1-ol?
The InChIKey is ZGJKNMPTVDDRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H76O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38/h38H,2-37H2,1H3.
What are the key properties of heptatriacontan-1-ol?
heptatriacontan-1-ol has a molecular weight of 537.01 g/mol, XLogP of 13.65, 35 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for heptatriacontan-1-ol is sourced from PubChem (CID 537071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).