1-[(3aR,7aS)-4,4-dimethylspiro[1,2,3,5,7,7a-hexahydroindene-6,2'-1,3-dioxolane]-3a-yl]ethanone

C15H24O3 — CID 71518305

IUPAC1-[(3aR,7aS)-4,4-dimethylspiro[1,2,3,5,7,7a-hexahydroindene-6,2'-1,3-dioxolane]-3a-yl]ethanone
SMILESCC(=O)[C@]12CCC[C@H]1CC1(CC2(C)C)OCCO1
InChIInChI=1S/C15H24O3/c1-11(16)15-6-4-5-12(15)9-14(10-13(15,2)3)17-7-8-18-14/h12H,4-10H2,1-3H3/t12-,15+/m0/s1
InChIKeyRJEMSXBTMOPRKZ-SWLSCSKDSA-N
MW252.35 g/mol
LogP2.92
Rot. Bonds1

About 1-[(3aR,7aS)-4,4-dimethylspiro[1,2,3,5,7,7a-hexahydroindene-6,2'-1,3-dioxolane]-3a-yl]ethanone

1-[(3aR,7aS)-4,4-dimethylspiro[1,2,3,5,7,7a-hexahydroindene-6,2'-1,3-dioxolane]-3a-yl]ethanone (PubChem CID 71518305) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 1-[(3aR,7aS)-4,4-dimethylspiro[1,2,3,5,7,7a-hexahydroindene-6,2'-1,3-dioxolane]-3a-yl]ethanone.

Molecular Properties

Compound Name1-[(3aR,7aS)-4,4-dimethylspiro[1,2,3,5,7,7a-hexahydroindene-6,2'-1,3-dioxolane]-3a-yl]ethanone
PubChem CID71518305
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name1-[(3aR,7aS)-4,4-dimethylspiro[1,2,3,5,7,7a-hexahydroindene-6,2'-1,3-dioxolane]-3a-yl]ethanone
SMILESCC(=O)[C@]12CCC[C@H]1CC1(CC2(C)C)OCCO1
InChIInChI=1S/C15H24O3/c1-11(16)15-6-4-5-12(15)9-14(10-13(15,2)3)17-7-8-18-14/h12H,4-10H2,1-3H3/t12-,15+/m0/s1
InChIKeyRJEMSXBTMOPRKZ-SWLSCSKDSA-N
XLogP2.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(3aR,7aS)-4,4-dimethylspiro[1,2,3,5,7,7a-hexahydroindene-6,2'-1,3-dioxolane]-3a-yl]ethanone 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 1-[(3aR,7aS)-4,4-dimethylspiro[1,2,3,5,7,7a-hexahydroindene-6,2'-1,3-dioxolane]-3a-yl]ethanone?
The IUPAC name of 1-[(3aR,7aS)-4,4-dimethylspiro[1,2,3,5,7,7a-hexahydroindene-6,2'-1,3-dioxolane]-3a-yl]ethanone (CID 71518305) is 1-[(3aR,7aS)-4,4-dimethylspiro[1,2,3,5,7,7a-hexahydroindene-6,2'-1,3-dioxolane]-3a-yl]ethanone.
What is the SMILES notation for 1-[(3aR,7aS)-4,4-dimethylspiro[1,2,3,5,7,7a-hexahydroindene-6,2'-1,3-dioxolane]-3a-yl]ethanone?
The canonical SMILES for 1-[(3aR,7aS)-4,4-dimethylspiro[1,2,3,5,7,7a-hexahydroindene-6,2'-1,3-dioxolane]-3a-yl]ethanone is CC(=O)[C@]12CCC[C@H]1CC1(CC2(C)C)OCCO1.
What is the InChIKey of 1-[(3aR,7aS)-4,4-dimethylspiro[1,2,3,5,7,7a-hexahydroindene-6,2'-1,3-dioxolane]-3a-yl]ethanone?
The InChIKey is RJEMSXBTMOPRKZ-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H24O3/c1-11(16)15-6-4-5-12(15)9-14(10-13(15,2)3)17-7-8-18-14/h12H,4-10H2,1-3H3/t12-,15+/m0/s1.
What are the key properties of 1-[(3aR,7aS)-4,4-dimethylspiro[1,2,3,5,7,7a-hexahydroindene-6,2'-1,3-dioxolane]-3a-yl]ethanone?
1-[(3aR,7aS)-4,4-dimethylspiro[1,2,3,5,7,7a-hexahydroindene-6,2'-1,3-dioxolane]-3a-yl]ethanone has a molecular weight of 252.35 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3aR,7aS)-4,4-dimethylspiro[1,2,3,5,7,7a-hexahydroindene-6,2'-1,3-dioxolane]-3a-yl]ethanone is sourced from PubChem (CID 71518305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).