4',4',6',6'-tetramethylspiro[1,3-dioxolane-2,7'-3H-indene]-5'-one

C15H20O3 — CID 10933862

IUPAC4',4',6',6'-tetramethylspiro[1,3-dioxolane-2,7'-3H-indene]-5'-one
SMILESCC1(C)C(=O)C(C)(C)C2(OCCO2)C2=C1CC=C2
InChIInChI=1S/C15H20O3/c1-13(2)10-6-5-7-11(10)15(17-8-9-18-15)14(3,4)12(13)16/h5,7H,6,8-9H2,1-4H3
InChIKeyAGOWGTIWMMKDLU-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.62
Rot. Bonds

About 4',4',6',6'-tetramethylspiro[1,3-dioxolane-2,7'-3H-indene]-5'-one

4',4',6',6'-tetramethylspiro[1,3-dioxolane-2,7'-3H-indene]-5'-one (PubChem CID 10933862) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 4',4',6',6'-tetramethylspiro[1,3-dioxolane-2,7'-3H-indene]-5'-one.

Molecular Properties

Compound Name4',4',6',6'-tetramethylspiro[1,3-dioxolane-2,7'-3H-indene]-5'-one
PubChem CID10933862
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name4',4',6',6'-tetramethylspiro[1,3-dioxolane-2,7'-3H-indene]-5'-one
SMILESCC1(C)C(=O)C(C)(C)C2(OCCO2)C2=C1CC=C2
InChIInChI=1S/C15H20O3/c1-13(2)10-6-5-7-11(10)15(17-8-9-18-15)14(3,4)12(13)16/h5,7H,6,8-9H2,1-4H3
InChIKeyAGOWGTIWMMKDLU-UHFFFAOYSA-N
XLogP2.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4',4',6',6'-tetramethylspiro[1,3-dioxolane-2,7'-3H-indene]-5'-one?
The IUPAC name of 4',4',6',6'-tetramethylspiro[1,3-dioxolane-2,7'-3H-indene]-5'-one (CID 10933862) is 4',4',6',6'-tetramethylspiro[1,3-dioxolane-2,7'-3H-indene]-5'-one.
What is the SMILES notation for 4',4',6',6'-tetramethylspiro[1,3-dioxolane-2,7'-3H-indene]-5'-one?
The canonical SMILES for 4',4',6',6'-tetramethylspiro[1,3-dioxolane-2,7'-3H-indene]-5'-one is CC1(C)C(=O)C(C)(C)C2(OCCO2)C2=C1CC=C2.
What is the InChIKey of 4',4',6',6'-tetramethylspiro[1,3-dioxolane-2,7'-3H-indene]-5'-one?
The InChIKey is AGOWGTIWMMKDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-13(2)10-6-5-7-11(10)15(17-8-9-18-15)14(3,4)12(13)16/h5,7H,6,8-9H2,1-4H3.
What are the key properties of 4',4',6',6'-tetramethylspiro[1,3-dioxolane-2,7'-3H-indene]-5'-one?
4',4',6',6'-tetramethylspiro[1,3-dioxolane-2,7'-3H-indene]-5'-one has a molecular weight of 248.32 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4',4',6',6'-tetramethylspiro[1,3-dioxolane-2,7'-3H-indene]-5'-one is sourced from PubChem (CID 10933862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).