2-methyltetratriacontane

C35H72 — CID 14275207

IUPAC2-methyltetratriacontane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C35H72/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35(2)3/h35H,4-34H2,1-3H3
InChIKeyMNFYUSLFGBQJRK-UHFFFAOYSA-N
MW492.96 g/mol
LogP13.76
Rot. Bonds31

About 2-methyltetratriacontane

2-methyltetratriacontane (PubChem CID 14275207) has the molecular formula C35H72 and a molecular weight of 492.96 g/mol. Its IUPAC name is 2-methyltetratriacontane.

Molecular Properties

Compound Name2-methyltetratriacontane
PubChem CID14275207
Molecular FormulaC35H72
Molecular Weight492.96 g/mol
Exact Mass492.56
IUPAC Name2-methyltetratriacontane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C35H72/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35(2)3/h35H,4-34H2,1-3H3
InChIKeyMNFYUSLFGBQJRK-UHFFFAOYSA-N
XLogP13.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds31
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.96
LogP ≤ 513.76
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

2-methylpentaoctacontane
CID 90745672
2-methyldecane
CID 23415
2-methyloctacosane
CID 519147
azane;2-methyloctadecane
CID 175414560
2-methylnonane;heptahydrofluoride
CID 160801749
methane;2-methylicosane
CID 157337652
alumane;2-methyldecane
CID 174844655
2-methyltricosane;hydrate
CID 172783998
2-methylheptadecane;hydrobromide
CID 174866228
ethane;2-methyloctane;pentane
CID 144527652
2-methylbutane;2-methyltridecane
CID 54106775
mercury;2-methylheptane
CID 175108338

Frequently Asked Questions

What is the IUPAC name of 2-methyltetratriacontane?
The IUPAC name of 2-methyltetratriacontane (CID 14275207) is 2-methyltetratriacontane.
What is the SMILES notation for 2-methyltetratriacontane?
The canonical SMILES for 2-methyltetratriacontane is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C.
What is the InChIKey of 2-methyltetratriacontane?
The InChIKey is MNFYUSLFGBQJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H72/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35(2)3/h35H,4-34H2,1-3H3.
What are the key properties of 2-methyltetratriacontane?
2-methyltetratriacontane has a molecular weight of 492.96 g/mol, XLogP of 13.76, 31 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyltetratriacontane is sourced from PubChem (CID 14275207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).