4,4-dimethyl-1-methylidenespiro[4.5]decan-10-one

C13H20O — CID 175807409

IUPAC4,4-dimethyl-1-methylidenespiro[4.5]decan-10-one
SMILESC=C1CCC(C)(C)C12CCCCC2=O
InChIInChI=1S/C13H20O/c1-10-7-9-12(2,3)13(10)8-5-4-6-11(13)14/h1,4-9H2,2-3H3
InChIKeyGIYABVDYVROQEC-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.49
Rot. Bonds

About 4,4-dimethyl-1-methylidenespiro[4.5]decan-10-one

4,4-dimethyl-1-methylidenespiro[4.5]decan-10-one (PubChem CID 175807409) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 4,4-dimethyl-1-methylidenespiro[4.5]decan-10-one.

Molecular Properties

Compound Name4,4-dimethyl-1-methylidenespiro[4.5]decan-10-one
PubChem CID175807409
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name4,4-dimethyl-1-methylidenespiro[4.5]decan-10-one
SMILESC=C1CCC(C)(C)C12CCCCC2=O
InChIInChI=1S/C13H20O/c1-10-7-9-12(2,3)13(10)8-5-4-6-11(13)14/h1,4-9H2,2-3H3
InChIKeyGIYABVDYVROQEC-UHFFFAOYSA-N
XLogP3.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4,4-dimethyl-1-methylidenespiro[4.5]decan-10-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 4,4-dimethyl-1-methylidenespiro[4.5]decan-10-one?
The IUPAC name of 4,4-dimethyl-1-methylidenespiro[4.5]decan-10-one (CID 175807409) is 4,4-dimethyl-1-methylidenespiro[4.5]decan-10-one.
What is the SMILES notation for 4,4-dimethyl-1-methylidenespiro[4.5]decan-10-one?
The canonical SMILES for 4,4-dimethyl-1-methylidenespiro[4.5]decan-10-one is C=C1CCC(C)(C)C12CCCCC2=O.
What is the InChIKey of 4,4-dimethyl-1-methylidenespiro[4.5]decan-10-one?
The InChIKey is GIYABVDYVROQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-10-7-9-12(2,3)13(10)8-5-4-6-11(13)14/h1,4-9H2,2-3H3.
What are the key properties of 4,4-dimethyl-1-methylidenespiro[4.5]decan-10-one?
4,4-dimethyl-1-methylidenespiro[4.5]decan-10-one has a molecular weight of 192.30 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-methylidenespiro[4.5]decan-10-one is sourced from PubChem (CID 175807409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).