4-methyltritriacontane

C34H70 — CID 71346224

IUPAC4-methyltritriacontane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CCC
InChIInChI=1S/C34H70/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-34(3)32-5-2/h34H,4-33H2,1-3H3
InChIKeyHUWHFLXKPGENCC-UHFFFAOYSA-N
MW478.93 g/mol
LogP13.37
Rot. Bonds30

About 4-methyltritriacontane

4-methyltritriacontane (PubChem CID 71346224) has the molecular formula C34H70 and a molecular weight of 478.93 g/mol. Its IUPAC name is 4-methyltritriacontane.

Molecular Properties

Compound Name4-methyltritriacontane
PubChem CID71346224
Molecular FormulaC34H70
Molecular Weight478.93 g/mol
Exact Mass478.55
IUPAC Name4-methyltritriacontane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CCC
InChIInChI=1S/C34H70/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-34(3)32-5-2/h34H,4-33H2,1-3H3
InChIKeyHUWHFLXKPGENCC-UHFFFAOYSA-N
XLogP13.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds30
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.93
LogP ≤ 513.37
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

(4R)-4-methyldecane
CID 57191620
(4S)-4-methyltridecane
CID 24884428
4,9-dimethylpentadecane
CID 123851930
4-methyloctadecane
CID 517866
(4R)-4-methylpentadecane
CID 98062361
4,10-dimethyltriacontane
CID 6430425
4,8,14-trimethyltetratriacontane
CID 6431076
4,13-dimethylheptadecane
CID 6430494
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
8-methyloctadecane
CID 530154
11-methylpentacosane
CID 526107

Frequently Asked Questions

What is the IUPAC name of 4-methyltritriacontane?
The IUPAC name of 4-methyltritriacontane (CID 71346224) is 4-methyltritriacontane.
What is the SMILES notation for 4-methyltritriacontane?
The canonical SMILES for 4-methyltritriacontane is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CCC.
What is the InChIKey of 4-methyltritriacontane?
The InChIKey is HUWHFLXKPGENCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H70/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-34(3)32-5-2/h34H,4-33H2,1-3H3.
What are the key properties of 4-methyltritriacontane?
4-methyltritriacontane has a molecular weight of 478.93 g/mol, XLogP of 13.37, 30 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyltritriacontane is sourced from PubChem (CID 71346224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).