2-methyldocos-2-ene

C23H46 — CID 549981

IUPAC2-methyldocos-2-ene
SMILESCCCCCCCCCCCCCCCCCCCC=C(C)C
InChIInChI=1S/C23H46/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(2)3/h22H,4-21H2,1-3H3
InChIKeyRMDLHIUZBOAZBF-UHFFFAOYSA-N
MW322.62 g/mol
LogP8.99
Rot. Bonds18

About 2-methyldocos-2-ene

2-methyldocos-2-ene (PubChem CID 549981) has the molecular formula C23H46 and a molecular weight of 322.62 g/mol. Its IUPAC name is 2-methyldocos-2-ene.

Molecular Properties

Compound Name2-methyldocos-2-ene
PubChem CID549981
Molecular FormulaC23H46
Molecular Weight322.62 g/mol
Exact Mass322.36
IUPAC Name2-methyldocos-2-ene
SMILESCCCCCCCCCCCCCCCCCCCC=C(C)C
InChIInChI=1S/C23H46/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(2)3/h22H,4-21H2,1-3H3
InChIKeyRMDLHIUZBOAZBF-UHFFFAOYSA-N
XLogP8.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.62
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyldocos-2-ene?
The IUPAC name of 2-methyldocos-2-ene (CID 549981) is 2-methyldocos-2-ene.
What is the SMILES notation for 2-methyldocos-2-ene?
The canonical SMILES for 2-methyldocos-2-ene is CCCCCCCCCCCCCCCCCCCC=C(C)C.
What is the InChIKey of 2-methyldocos-2-ene?
The InChIKey is RMDLHIUZBOAZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(2)3/h22H,4-21H2,1-3H3.
What are the key properties of 2-methyldocos-2-ene?
2-methyldocos-2-ene has a molecular weight of 322.62 g/mol, XLogP of 8.99, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyldocos-2-ene is sourced from PubChem (CID 549981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).