2-methyloctacosane

C29H60 — CID 519147

IUPAC2-methyloctacosane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C29H60/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(2)3/h29H,4-28H2,1-3H3
InChIKeyYGCGPCUUTAKOEU-UHFFFAOYSA-N
MW408.80 g/mol
LogP11.41
Rot. Bonds25

About 2-methyloctacosane

2-methyloctacosane (PubChem CID 519147) has the molecular formula C29H60 and a molecular weight of 408.80 g/mol. Its IUPAC name is 2-methyloctacosane.

Molecular Properties

Compound Name2-methyloctacosane
PubChem CID519147
Molecular FormulaC29H60
Molecular Weight408.80 g/mol
Exact Mass408.47
IUPAC Name2-methyloctacosane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C29H60/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(2)3/h29H,4-28H2,1-3H3
InChIKeyYGCGPCUUTAKOEU-UHFFFAOYSA-N
XLogP11.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds25
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.80
LogP ≤ 511.41
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-methyltetratriacontane
CID 14275207
methane;2-methylicosane
CID 157337652
alumane;2-methyldecane
CID 174844655
azane;2-methyloctadecane
CID 175414560
2-methylnonane;heptahydrofluoride
CID 160801749
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-methyloctacosane?
The IUPAC name of 2-methyloctacosane (CID 519147) is 2-methyloctacosane.
What is the SMILES notation for 2-methyloctacosane?
The canonical SMILES for 2-methyloctacosane is CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C.
What is the InChIKey of 2-methyloctacosane?
The InChIKey is YGCGPCUUTAKOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H60/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(2)3/h29H,4-28H2,1-3H3.
What are the key properties of 2-methyloctacosane?
2-methyloctacosane has a molecular weight of 408.80 g/mol, XLogP of 11.41, 25 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloctacosane is sourced from PubChem (CID 519147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).