2-methyldodec-1-ene

C13H26 — CID 519267

IUPAC2-methyldodec-1-ene
SMILESC=C(C)CCCCCCCCCC
InChIInChI=1S/C13H26/c1-4-5-6-7-8-9-10-11-12-13(2)3/h2,4-12H2,1,3H3
InChIKeyPWRBDKMPAZFCSV-UHFFFAOYSA-N
MW182.35 g/mol
LogP5.09
Rot. Bonds9

About 2-methyldodec-1-ene

2-methyldodec-1-ene (PubChem CID 519267) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 2-methyldodec-1-ene.

Molecular Properties

Compound Name2-methyldodec-1-ene
PubChem CID519267
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name2-methyldodec-1-ene
SMILESC=C(C)CCCCCCCCCC
InChIInChI=1S/C13H26/c1-4-5-6-7-8-9-10-11-12-13(2)3/h2,4-12H2,1,3H3
InChIKeyPWRBDKMPAZFCSV-UHFFFAOYSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500182.35
LogP ≤ 55.09
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-methyldodec-1-ene?
The IUPAC name of 2-methyldodec-1-ene (CID 519267) is 2-methyldodec-1-ene.
What is the SMILES notation for 2-methyldodec-1-ene?
The canonical SMILES for 2-methyldodec-1-ene is C=C(C)CCCCCCCCCC.
What is the InChIKey of 2-methyldodec-1-ene?
The InChIKey is PWRBDKMPAZFCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-4-5-6-7-8-9-10-11-12-13(2)3/h2,4-12H2,1,3H3.
What are the key properties of 2-methyldodec-1-ene?
2-methyldodec-1-ene has a molecular weight of 182.35 g/mol, XLogP of 5.09, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyldodec-1-ene is sourced from PubChem (CID 519267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).