hentriacontane

C31H64 — CID 12410

IUPAChentriacontane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C31H64/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3
InChIKeyIUJAMGNYPWYUPM-UHFFFAOYSA-N
MW436.85 g/mol
LogP12.34
Rot. Bonds28

About hentriacontane

hentriacontane (PubChem CID 12410) has the molecular formula C31H64 and a molecular weight of 436.85 g/mol. Its IUPAC name is hentriacontane.

Molecular Properties

Compound Namehentriacontane
PubChem CID12410
Molecular FormulaC31H64
Molecular Weight436.85 g/mol
Exact Mass436.50
IUPAC Namehentriacontane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C31H64/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3
InChIKeyIUJAMGNYPWYUPM-UHFFFAOYSA-N
XLogP12.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds28
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.85
LogP ≤ 512.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Decane
CID 15600
Octane
CID 356
Nonane
CID 8141
Pentadecane
CID 12391
Hexadecane
CID 11006
Undecane
CID 14257
Tridecane
CID 12388
Dodecane
CID 8182
Tetradecane
CID 12389
Nonadecane
CID 12401
Heptadecane
CID 12398
Octacosane
CID 12408

Frequently Asked Questions

What is the IUPAC name of hentriacontane?
The IUPAC name of hentriacontane (CID 12410) is hentriacontane.
What is the SMILES notation for hentriacontane?
The canonical SMILES for hentriacontane is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of hentriacontane?
The InChIKey is IUJAMGNYPWYUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H64/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3.
What are the key properties of hentriacontane?
hentriacontane has a molecular weight of 436.85 g/mol, XLogP of 12.34, 28 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hentriacontane is sourced from PubChem (CID 12410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).