2-ethenyl-2-methyl-5-(6-methylhepta-1,5-dien-2-yl)oxolane

C15H24O — CID 20526426

IUPAC2-ethenyl-2-methyl-5-(6-methylhepta-1,5-dien-2-yl)oxolane
SMILESC=CC1(C)CCC(C(=C)CCC=C(C)C)O1
InChIInChI=1S/C15H24O/c1-6-15(5)11-10-14(16-15)13(4)9-7-8-12(2)3/h6,8,14H,1,4,7,9-11H2,2-3,5H3
InChIKeyLXTONLAFEOIUPK-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.41
Rot. Bonds5

About 2-ethenyl-2-methyl-5-(6-methylhepta-1,5-dien-2-yl)oxolane

2-ethenyl-2-methyl-5-(6-methylhepta-1,5-dien-2-yl)oxolane (PubChem CID 20526426) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-ethenyl-2-methyl-5-(6-methylhepta-1,5-dien-2-yl)oxolane.

Molecular Properties

Compound Name2-ethenyl-2-methyl-5-(6-methylhepta-1,5-dien-2-yl)oxolane
PubChem CID20526426
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2-ethenyl-2-methyl-5-(6-methylhepta-1,5-dien-2-yl)oxolane
SMILESC=CC1(C)CCC(C(=C)CCC=C(C)C)O1
InChIInChI=1S/C15H24O/c1-6-15(5)11-10-14(16-15)13(4)9-7-8-12(2)3/h6,8,14H,1,4,7,9-11H2,2-3,5H3
InChIKeyLXTONLAFEOIUPK-UHFFFAOYSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ethenyl-2-methyl-5-(6-methylhepta-1,5-dien-2-yl)oxolane 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 2-ethenyl-2-methyl-5-(6-methylhepta-1,5-dien-2-yl)oxolane?
The IUPAC name of 2-ethenyl-2-methyl-5-(6-methylhepta-1,5-dien-2-yl)oxolane (CID 20526426) is 2-ethenyl-2-methyl-5-(6-methylhepta-1,5-dien-2-yl)oxolane.
What is the SMILES notation for 2-ethenyl-2-methyl-5-(6-methylhepta-1,5-dien-2-yl)oxolane?
The canonical SMILES for 2-ethenyl-2-methyl-5-(6-methylhepta-1,5-dien-2-yl)oxolane is C=CC1(C)CCC(C(=C)CCC=C(C)C)O1.
What is the InChIKey of 2-ethenyl-2-methyl-5-(6-methylhepta-1,5-dien-2-yl)oxolane?
The InChIKey is LXTONLAFEOIUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-6-15(5)11-10-14(16-15)13(4)9-7-8-12(2)3/h6,8,14H,1,4,7,9-11H2,2-3,5H3.
What are the key properties of 2-ethenyl-2-methyl-5-(6-methylhepta-1,5-dien-2-yl)oxolane?
2-ethenyl-2-methyl-5-(6-methylhepta-1,5-dien-2-yl)oxolane has a molecular weight of 220.36 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-methyl-5-(6-methylhepta-1,5-dien-2-yl)oxolane is sourced from PubChem (CID 20526426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).