3-ethenyl-4-methyl-3-propan-2-yloxydodec-1-ene

C18H34O — CID 152535226

IUPAC3-ethenyl-4-methyl-3-propan-2-yloxydodec-1-ene
SMILESC=CC(C=C)(OC(C)C)C(C)CCCCCCCC
InChIInChI=1S/C18H34O/c1-7-10-11-12-13-14-15-17(6)18(8-2,9-3)19-16(4)5/h8-9,16-17H,2-3,7,10-15H2,1,4-6H3
InChIKeyYKJQKAHWXXUUQV-UHFFFAOYSA-N
MW266.47 g/mol
LogP5.91
Rot. Bonds12

About 3-ethenyl-4-methyl-3-propan-2-yloxydodec-1-ene

3-ethenyl-4-methyl-3-propan-2-yloxydodec-1-ene (PubChem CID 152535226) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is 3-ethenyl-4-methyl-3-propan-2-yloxydodec-1-ene.

Molecular Properties

Compound Name3-ethenyl-4-methyl-3-propan-2-yloxydodec-1-ene
PubChem CID152535226
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Name3-ethenyl-4-methyl-3-propan-2-yloxydodec-1-ene
SMILESC=CC(C=C)(OC(C)C)C(C)CCCCCCCC
InChIInChI=1S/C18H34O/c1-7-10-11-12-13-14-15-17(6)18(8-2,9-3)19-16(4)5/h8-9,16-17H,2-3,7,10-15H2,1,4-6H3
InChIKeyYKJQKAHWXXUUQV-UHFFFAOYSA-N
XLogP5.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.47
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-ethenyl-4-methyl-3-propan-2-yloxydodec-1-ene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-4-methyl-3-propan-2-yloxydodec-1-ene?
The IUPAC name of 3-ethenyl-4-methyl-3-propan-2-yloxydodec-1-ene (CID 152535226) is 3-ethenyl-4-methyl-3-propan-2-yloxydodec-1-ene.
What is the SMILES notation for 3-ethenyl-4-methyl-3-propan-2-yloxydodec-1-ene?
The canonical SMILES for 3-ethenyl-4-methyl-3-propan-2-yloxydodec-1-ene is C=CC(C=C)(OC(C)C)C(C)CCCCCCCC.
What is the InChIKey of 3-ethenyl-4-methyl-3-propan-2-yloxydodec-1-ene?
The InChIKey is YKJQKAHWXXUUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O/c1-7-10-11-12-13-14-15-17(6)18(8-2,9-3)19-16(4)5/h8-9,16-17H,2-3,7,10-15H2,1,4-6H3.
What are the key properties of 3-ethenyl-4-methyl-3-propan-2-yloxydodec-1-ene?
3-ethenyl-4-methyl-3-propan-2-yloxydodec-1-ene has a molecular weight of 266.47 g/mol, XLogP of 5.91, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4-methyl-3-propan-2-yloxydodec-1-ene is sourced from PubChem (CID 152535226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).