8-prop-2-enyl-1,4-dioxaspiro[4.5]decane

C11H18O2 — CID 130067842

IUPAC8-prop-2-enyl-1,4-dioxaspiro[4.5]decane
SMILESC=CCC1CCC2(CC1)OCCO2
InChIInChI=1S/C11H18O2/c1-2-3-10-4-6-11(7-5-10)12-8-9-13-11/h2,10H,1,3-9H2
InChIKeyIBQMIMNXXFSSSL-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.50
Rot. Bonds2

About 8-prop-2-enyl-1,4-dioxaspiro[4.5]decane

8-prop-2-enyl-1,4-dioxaspiro[4.5]decane (PubChem CID 130067842) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 8-prop-2-enyl-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-prop-2-enyl-1,4-dioxaspiro[4.5]decane
PubChem CID130067842
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name8-prop-2-enyl-1,4-dioxaspiro[4.5]decane
SMILESC=CCC1CCC2(CC1)OCCO2
InChIInChI=1S/C11H18O2/c1-2-3-10-4-6-11(7-5-10)12-8-9-13-11/h2,10H,1,3-9H2
InChIKeyIBQMIMNXXFSSSL-UHFFFAOYSA-N
XLogP2.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-prop-2-enyl-1,4-dioxaspiro[4.5]decane 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 8-prop-2-enyl-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-prop-2-enyl-1,4-dioxaspiro[4.5]decane (CID 130067842) is 8-prop-2-enyl-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-prop-2-enyl-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-prop-2-enyl-1,4-dioxaspiro[4.5]decane is C=CCC1CCC2(CC1)OCCO2.
What is the InChIKey of 8-prop-2-enyl-1,4-dioxaspiro[4.5]decane?
The InChIKey is IBQMIMNXXFSSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-3-10-4-6-11(7-5-10)12-8-9-13-11/h2,10H,1,3-9H2.
What are the key properties of 8-prop-2-enyl-1,4-dioxaspiro[4.5]decane?
8-prop-2-enyl-1,4-dioxaspiro[4.5]decane has a molecular weight of 182.26 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-prop-2-enyl-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 130067842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).