2-methyl-3-propan-2-yloctadec-2-ene

C22H44 — CID 174104969

IUPAC2-methyl-3-propan-2-yloctadec-2-ene
SMILESCCCCCCCCCCCCCCCC(=C(C)C)C(C)C
InChIInChI=1S/C22H44/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(20(2)3)21(4)5/h20H,6-19H2,1-5H3
InChIKeyWQIWESVRFFPNNH-UHFFFAOYSA-N
MW308.59 g/mol
LogP8.46
Rot. Bonds15

About 2-methyl-3-propan-2-yloctadec-2-ene

2-methyl-3-propan-2-yloctadec-2-ene (PubChem CID 174104969) has the molecular formula C22H44 and a molecular weight of 308.59 g/mol. Its IUPAC name is 2-methyl-3-propan-2-yloctadec-2-ene.

Molecular Properties

Compound Name2-methyl-3-propan-2-yloctadec-2-ene
PubChem CID174104969
Molecular FormulaC22H44
Molecular Weight308.59 g/mol
Exact Mass308.34
IUPAC Name2-methyl-3-propan-2-yloctadec-2-ene
SMILESCCCCCCCCCCCCCCCC(=C(C)C)C(C)C
InChIInChI=1S/C22H44/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(20(2)3)21(4)5/h20H,6-19H2,1-5H3
InChIKeyWQIWESVRFFPNNH-UHFFFAOYSA-N
XLogP8.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.59
LogP ≤ 58.46
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'}

Analyze 2-methyl-3-propan-2-yloctadec-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dimethylbut-2-ene;heptane
CID 20510833
2,3-dimethyltridec-2-ene
CID 22376033
2-methylhexadecan-3-one
CID 58030381
2-methyldecane-3-thione
CID 57032635
8,9-dimethylhexadec-8-ene
CID 140717938
octane;propan-2-ol
CID 160746796
11,12,13-tris-decyltricos-11-ene
CID 173081565
2-chloroheptadecan-3-one
CID 88651520
4-methyltetradec-3-en-2-ol
CID 71428210
9,10-dioctyloctadec-9-ene
CID 10814462
decan-2-one
CID 12741
octadecakis(hexane);nonan-2-one
CID 173226284

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propan-2-yloctadec-2-ene?
The IUPAC name of 2-methyl-3-propan-2-yloctadec-2-ene (CID 174104969) is 2-methyl-3-propan-2-yloctadec-2-ene.
What is the SMILES notation for 2-methyl-3-propan-2-yloctadec-2-ene?
The canonical SMILES for 2-methyl-3-propan-2-yloctadec-2-ene is CCCCCCCCCCCCCCCC(=C(C)C)C(C)C.
What is the InChIKey of 2-methyl-3-propan-2-yloctadec-2-ene?
The InChIKey is WQIWESVRFFPNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(20(2)3)21(4)5/h20H,6-19H2,1-5H3.
What are the key properties of 2-methyl-3-propan-2-yloctadec-2-ene?
2-methyl-3-propan-2-yloctadec-2-ene has a molecular weight of 308.59 g/mol, XLogP of 8.46, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propan-2-yloctadec-2-ene is sourced from PubChem (CID 174104969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).