4',4'-dimethylspiro[1,3-dioxolane-4,5'-6,6a-dihydro-3aH-pentalene]-1'-one

C12H16O3 — CID 141267487

IUPAC4',4'-dimethylspiro[1,3-dioxolane-4,5'-6,6a-dihydro-3aH-pentalene]-1'-one
SMILESCC1(C)C2C=CC(=O)C2CC12COCO2
InChIInChI=1S/C12H16O3/c1-11(2)9-3-4-10(13)8(9)5-12(11)6-14-7-15-12/h3-4,8-9H,5-7H2,1-2H3
InChIKeyUZQKAIISYNGQGJ-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.53
Rot. Bonds

About 4',4'-dimethylspiro[1,3-dioxolane-4,5'-6,6a-dihydro-3aH-pentalene]-1'-one

4',4'-dimethylspiro[1,3-dioxolane-4,5'-6,6a-dihydro-3aH-pentalene]-1'-one (PubChem CID 141267487) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4',4'-dimethylspiro[1,3-dioxolane-4,5'-6,6a-dihydro-3aH-pentalene]-1'-one.

Molecular Properties

Compound Name4',4'-dimethylspiro[1,3-dioxolane-4,5'-6,6a-dihydro-3aH-pentalene]-1'-one
PubChem CID141267487
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name4',4'-dimethylspiro[1,3-dioxolane-4,5'-6,6a-dihydro-3aH-pentalene]-1'-one
SMILESCC1(C)C2C=CC(=O)C2CC12COCO2
InChIInChI=1S/C12H16O3/c1-11(2)9-3-4-10(13)8(9)5-12(11)6-14-7-15-12/h3-4,8-9H,5-7H2,1-2H3
InChIKeyUZQKAIISYNGQGJ-UHFFFAOYSA-N
XLogP1.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4',4'-dimethylspiro[1,3-dioxolane-4,5'-6,6a-dihydro-3aH-pentalene]-1'-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'-dimethylspiro[1,3-dioxolane-4,5'-6,6a-dihydro-3aH-pentalene]-1'-one?
The IUPAC name of 4',4'-dimethylspiro[1,3-dioxolane-4,5'-6,6a-dihydro-3aH-pentalene]-1'-one (CID 141267487) is 4',4'-dimethylspiro[1,3-dioxolane-4,5'-6,6a-dihydro-3aH-pentalene]-1'-one.
What is the SMILES notation for 4',4'-dimethylspiro[1,3-dioxolane-4,5'-6,6a-dihydro-3aH-pentalene]-1'-one?
The canonical SMILES for 4',4'-dimethylspiro[1,3-dioxolane-4,5'-6,6a-dihydro-3aH-pentalene]-1'-one is CC1(C)C2C=CC(=O)C2CC12COCO2.
What is the InChIKey of 4',4'-dimethylspiro[1,3-dioxolane-4,5'-6,6a-dihydro-3aH-pentalene]-1'-one?
The InChIKey is UZQKAIISYNGQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-11(2)9-3-4-10(13)8(9)5-12(11)6-14-7-15-12/h3-4,8-9H,5-7H2,1-2H3.
What are the key properties of 4',4'-dimethylspiro[1,3-dioxolane-4,5'-6,6a-dihydro-3aH-pentalene]-1'-one?
4',4'-dimethylspiro[1,3-dioxolane-4,5'-6,6a-dihydro-3aH-pentalene]-1'-one has a molecular weight of 208.26 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4',4'-dimethylspiro[1,3-dioxolane-4,5'-6,6a-dihydro-3aH-pentalene]-1'-one is sourced from PubChem (CID 141267487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).