2-butyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene

C16H26O — CID 11085729

IUPAC2-butyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene
SMILESC=CCC1=CC(CCCC)OC12CCCCC2
InChIInChI=1S/C16H26O/c1-3-5-10-15-13-14(9-4-2)16(17-15)11-7-6-8-12-16/h4,13,15H,2-3,5-12H2,1H3
InChIKeyQECYLIGXRYJBDK-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.78
Rot. Bonds5

About 2-butyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene

2-butyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene (PubChem CID 11085729) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 2-butyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name2-butyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene
PubChem CID11085729
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name2-butyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene
SMILESC=CCC1=CC(CCCC)OC12CCCCC2
InChIInChI=1S/C16H26O/c1-3-5-10-15-13-14(9-4-2)16(17-15)11-7-6-8-12-16/h4,13,15H,2-3,5-12H2,1H3
InChIKeyQECYLIGXRYJBDK-UHFFFAOYSA-N
XLogP4.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-butyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-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 2-butyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene?
The IUPAC name of 2-butyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene (CID 11085729) is 2-butyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene.
What is the SMILES notation for 2-butyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene?
The canonical SMILES for 2-butyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene is C=CCC1=CC(CCCC)OC12CCCCC2.
What is the InChIKey of 2-butyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene?
The InChIKey is QECYLIGXRYJBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-3-5-10-15-13-14(9-4-2)16(17-15)11-7-6-8-12-16/h4,13,15H,2-3,5-12H2,1H3.
What are the key properties of 2-butyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene?
2-butyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene has a molecular weight of 234.38 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene is sourced from PubChem (CID 11085729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).