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

C13H16O3 — CID 15265980

IUPAC4',6'-dimethylspiro[1,3-dioxolane-2,7'-4,6-dihydro-3H-indene]-5'-one
SMILESCC1C(=O)C(C)C2(OCCO2)C2=C1CC=C2
InChIInChI=1S/C13H16O3/c1-8-10-4-3-5-11(10)13(9(2)12(8)14)15-6-7-16-13/h3,5,8-9H,4,6-7H2,1-2H3
InChIKeyWQSVEIARIZZYCN-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.84
Rot. Bonds

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

4',6'-dimethylspiro[1,3-dioxolane-2,7'-4,6-dihydro-3H-indene]-5'-one (PubChem CID 15265980) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4',6'-dimethylspiro[1,3-dioxolane-2,7'-4,6-dihydro-3H-indene]-5'-one.

Molecular Properties

Compound Name4',6'-dimethylspiro[1,3-dioxolane-2,7'-4,6-dihydro-3H-indene]-5'-one
PubChem CID15265980
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name4',6'-dimethylspiro[1,3-dioxolane-2,7'-4,6-dihydro-3H-indene]-5'-one
SMILESCC1C(=O)C(C)C2(OCCO2)C2=C1CC=C2
InChIInChI=1S/C13H16O3/c1-8-10-4-3-5-11(10)13(9(2)12(8)14)15-6-7-16-13/h3,5,8-9H,4,6-7H2,1-2H3
InChIKeyWQSVEIARIZZYCN-UHFFFAOYSA-N
XLogP1.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4',6'-dimethylspiro[1,3-dioxolane-2,7'-4,6-dihydro-3H-indene]-5'-one?
The IUPAC name of 4',6'-dimethylspiro[1,3-dioxolane-2,7'-4,6-dihydro-3H-indene]-5'-one (CID 15265980) is 4',6'-dimethylspiro[1,3-dioxolane-2,7'-4,6-dihydro-3H-indene]-5'-one.
What is the SMILES notation for 4',6'-dimethylspiro[1,3-dioxolane-2,7'-4,6-dihydro-3H-indene]-5'-one?
The canonical SMILES for 4',6'-dimethylspiro[1,3-dioxolane-2,7'-4,6-dihydro-3H-indene]-5'-one is CC1C(=O)C(C)C2(OCCO2)C2=C1CC=C2.
What is the InChIKey of 4',6'-dimethylspiro[1,3-dioxolane-2,7'-4,6-dihydro-3H-indene]-5'-one?
The InChIKey is WQSVEIARIZZYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-8-10-4-3-5-11(10)13(9(2)12(8)14)15-6-7-16-13/h3,5,8-9H,4,6-7H2,1-2H3.
What are the key properties of 4',6'-dimethylspiro[1,3-dioxolane-2,7'-4,6-dihydro-3H-indene]-5'-one?
4',6'-dimethylspiro[1,3-dioxolane-2,7'-4,6-dihydro-3H-indene]-5'-one has a molecular weight of 220.27 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4',6'-dimethylspiro[1,3-dioxolane-2,7'-4,6-dihydro-3H-indene]-5'-one is sourced from PubChem (CID 15265980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).