4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane];ethanol

C15H22O3 — CID 90873126

IUPAC4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane];ethanol
SMILESCCO.Cc1ccc(C)c2c1CCC21OCCO1
InChIInChI=1S/C13H16O2.C2H6O/c1-9-3-4-10(2)12-11(9)5-6-13(12)14-7-8-15-13;1-2-3/h3-4H,5-8H2,1-2H3;3H,2H2,1H3
InChIKeyALYROTRHMSTJRF-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.45
Rot. Bonds

About 4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane];ethanol

4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane];ethanol (PubChem CID 90873126) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane];ethanol.

Molecular Properties

Compound Name4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane];ethanol
PubChem CID90873126
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane];ethanol
SMILESCCO.Cc1ccc(C)c2c1CCC21OCCO1
InChIInChI=1S/C13H16O2.C2H6O/c1-9-3-4-10(2)12-11(9)5-6-13(12)14-7-8-15-13;1-2-3/h3-4H,5-8H2,1-2H3;3H,2H2,1H3
InChIKeyALYROTRHMSTJRF-UHFFFAOYSA-N
XLogP2.45
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane];ethanol 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-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane];ethanol?
The IUPAC name of 4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane];ethanol (CID 90873126) is 4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane];ethanol.
What is the SMILES notation for 4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane];ethanol?
The canonical SMILES for 4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane];ethanol is CCO.Cc1ccc(C)c2c1CCC21OCCO1.
What is the InChIKey of 4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane];ethanol?
The InChIKey is ALYROTRHMSTJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2.C2H6O/c1-9-3-4-10(2)12-11(9)5-6-13(12)14-7-8-15-13;1-2-3/h3-4H,5-8H2,1-2H3;3H,2H2,1H3.
What are the key properties of 4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane];ethanol?
4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane];ethanol has a molecular weight of 250.34 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane];ethanol is sourced from PubChem (CID 90873126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).