4',7'a-dimethylspiro[1,3-dioxolane-2,1'-2,3,6,7-tetrahydroindene]-5'-one

C13H18O3 — CID 10059414

IUPAC4',7'a-dimethylspiro[1,3-dioxolane-2,1'-2,3,6,7-tetrahydroindene]-5'-one
SMILESCC1=C2CCC3(OCCO3)C2(C)CCC1=O
InChIInChI=1S/C13H18O3/c1-9-10-3-6-13(15-7-8-16-13)12(10,2)5-4-11(9)14/h3-8H2,1-2H3
InChIKeyMQTXDSQGJWDSAS-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.21
Rot. Bonds

About 4',7'a-dimethylspiro[1,3-dioxolane-2,1'-2,3,6,7-tetrahydroindene]-5'-one

4',7'a-dimethylspiro[1,3-dioxolane-2,1'-2,3,6,7-tetrahydroindene]-5'-one (PubChem CID 10059414) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 4',7'a-dimethylspiro[1,3-dioxolane-2,1'-2,3,6,7-tetrahydroindene]-5'-one.

Molecular Properties

Compound Name4',7'a-dimethylspiro[1,3-dioxolane-2,1'-2,3,6,7-tetrahydroindene]-5'-one
PubChem CID10059414
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name4',7'a-dimethylspiro[1,3-dioxolane-2,1'-2,3,6,7-tetrahydroindene]-5'-one
SMILESCC1=C2CCC3(OCCO3)C2(C)CCC1=O
InChIInChI=1S/C13H18O3/c1-9-10-3-6-13(15-7-8-16-13)12(10,2)5-4-11(9)14/h3-8H2,1-2H3
InChIKeyMQTXDSQGJWDSAS-UHFFFAOYSA-N
XLogP2.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4',7'a-dimethylspiro[1,3-dioxolane-2,1'-2,3,6,7-tetrahydroindene]-5'-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',7'a-dimethylspiro[1,3-dioxolane-2,1'-2,3,6,7-tetrahydroindene]-5'-one?
The IUPAC name of 4',7'a-dimethylspiro[1,3-dioxolane-2,1'-2,3,6,7-tetrahydroindene]-5'-one (CID 10059414) is 4',7'a-dimethylspiro[1,3-dioxolane-2,1'-2,3,6,7-tetrahydroindene]-5'-one.
What is the SMILES notation for 4',7'a-dimethylspiro[1,3-dioxolane-2,1'-2,3,6,7-tetrahydroindene]-5'-one?
The canonical SMILES for 4',7'a-dimethylspiro[1,3-dioxolane-2,1'-2,3,6,7-tetrahydroindene]-5'-one is CC1=C2CCC3(OCCO3)C2(C)CCC1=O.
What is the InChIKey of 4',7'a-dimethylspiro[1,3-dioxolane-2,1'-2,3,6,7-tetrahydroindene]-5'-one?
The InChIKey is MQTXDSQGJWDSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-9-10-3-6-13(15-7-8-16-13)12(10,2)5-4-11(9)14/h3-8H2,1-2H3.
What are the key properties of 4',7'a-dimethylspiro[1,3-dioxolane-2,1'-2,3,6,7-tetrahydroindene]-5'-one?
4',7'a-dimethylspiro[1,3-dioxolane-2,1'-2,3,6,7-tetrahydroindene]-5'-one has a molecular weight of 222.28 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4',7'a-dimethylspiro[1,3-dioxolane-2,1'-2,3,6,7-tetrahydroindene]-5'-one is sourced from PubChem (CID 10059414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).