6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-one

C12H18O3 — CID 177206944

IUPAC6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-one
SMILESC=CCC1(C)CC(=O)CCC12OCCO2
InChIInChI=1S/C12H18O3/c1-3-5-11(2)9-10(13)4-6-12(11)14-7-8-15-12/h3H,1,4-9H2,2H3
InChIKeyCHKWMALKRQMUMH-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.06
Rot. Bonds2

About 6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-one

6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-one (PubChem CID 177206944) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-one
PubChem CID177206944
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-one
SMILESC=CCC1(C)CC(=O)CCC12OCCO2
InChIInChI=1S/C12H18O3/c1-3-5-11(2)9-10(13)4-6-12(11)14-7-8-15-12/h3H,1,4-9H2,2H3
InChIKeyCHKWMALKRQMUMH-UHFFFAOYSA-N
XLogP2.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-one 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 6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-one?
The IUPAC name of 6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-one (CID 177206944) is 6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-one.
What is the SMILES notation for 6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-one?
The canonical SMILES for 6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-one is C=CCC1(C)CC(=O)CCC12OCCO2.
What is the InChIKey of 6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-one?
The InChIKey is CHKWMALKRQMUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-3-5-11(2)9-10(13)4-6-12(11)14-7-8-15-12/h3H,1,4-9H2,2H3.
What are the key properties of 6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-one?
6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-one has a molecular weight of 210.27 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-one is sourced from PubChem (CID 177206944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).