(3'aR,7'aS)-3',3',3'a,7'a-tetramethylspiro[1,3-dioxolane-2,2'-1,4-dihydroindene]-5'-one

C15H22O3 — CID 135020025

IUPAC(3'aR,7'aS)-3',3',3'a,7'a-tetramethylspiro[1,3-dioxolane-2,2'-1,4-dihydroindene]-5'-one
SMILESCC1(C)C2(C[C@@]3(C)C=CC(=O)C[C@@]13C)OCCO2
InChIInChI=1S/C15H22O3/c1-12(2)14(4)9-11(16)5-6-13(14,3)10-15(12)17-7-8-18-15/h5-6H,7-10H2,1-4H3/t13-,14+/m1/s1
InChIKeyLEDOLRMPXIFTHG-KGLIPLIRSA-N
MW250.34 g/mol
LogP2.70
Rot. Bonds

About (3'aR,7'aS)-3',3',3'a,7'a-tetramethylspiro[1,3-dioxolane-2,2'-1,4-dihydroindene]-5'-one

(3'aR,7'aS)-3',3',3'a,7'a-tetramethylspiro[1,3-dioxolane-2,2'-1,4-dihydroindene]-5'-one (PubChem CID 135020025) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (3'aR,7'aS)-3',3',3'a,7'a-tetramethylspiro[1,3-dioxolane-2,2'-1,4-dihydroindene]-5'-one.

Molecular Properties

Compound Name(3'aR,7'aS)-3',3',3'a,7'a-tetramethylspiro[1,3-dioxolane-2,2'-1,4-dihydroindene]-5'-one
PubChem CID135020025
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(3'aR,7'aS)-3',3',3'a,7'a-tetramethylspiro[1,3-dioxolane-2,2'-1,4-dihydroindene]-5'-one
SMILESCC1(C)C2(C[C@@]3(C)C=CC(=O)C[C@@]13C)OCCO2
InChIInChI=1S/C15H22O3/c1-12(2)14(4)9-11(16)5-6-13(14,3)10-15(12)17-7-8-18-15/h5-6H,7-10H2,1-4H3/t13-,14+/m1/s1
InChIKeyLEDOLRMPXIFTHG-KGLIPLIRSA-N
XLogP2.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3'aR,7'aS)-3',3',3'a,7'a-tetramethylspiro[1,3-dioxolane-2,2'-1,4-dihydroindene]-5'-one?
The IUPAC name of (3'aR,7'aS)-3',3',3'a,7'a-tetramethylspiro[1,3-dioxolane-2,2'-1,4-dihydroindene]-5'-one (CID 135020025) is (3'aR,7'aS)-3',3',3'a,7'a-tetramethylspiro[1,3-dioxolane-2,2'-1,4-dihydroindene]-5'-one.
What is the SMILES notation for (3'aR,7'aS)-3',3',3'a,7'a-tetramethylspiro[1,3-dioxolane-2,2'-1,4-dihydroindene]-5'-one?
The canonical SMILES for (3'aR,7'aS)-3',3',3'a,7'a-tetramethylspiro[1,3-dioxolane-2,2'-1,4-dihydroindene]-5'-one is CC1(C)C2(C[C@@]3(C)C=CC(=O)C[C@@]13C)OCCO2.
What is the InChIKey of (3'aR,7'aS)-3',3',3'a,7'a-tetramethylspiro[1,3-dioxolane-2,2'-1,4-dihydroindene]-5'-one?
The InChIKey is LEDOLRMPXIFTHG-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H22O3/c1-12(2)14(4)9-11(16)5-6-13(14,3)10-15(12)17-7-8-18-15/h5-6H,7-10H2,1-4H3/t13-,14+/m1/s1.
What are the key properties of (3'aR,7'aS)-3',3',3'a,7'a-tetramethylspiro[1,3-dioxolane-2,2'-1,4-dihydroindene]-5'-one?
(3'aR,7'aS)-3',3',3'a,7'a-tetramethylspiro[1,3-dioxolane-2,2'-1,4-dihydroindene]-5'-one has a molecular weight of 250.34 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3'aR,7'aS)-3',3',3'a,7'a-tetramethylspiro[1,3-dioxolane-2,2'-1,4-dihydroindene]-5'-one is sourced from PubChem (CID 135020025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).