4',6',6'-trimethylspiro[1,3-dioxolane-2,7'-3,4-dihydroindene]-5'-one

C14H18O3 — CID 10489875

IUPAC4',6',6'-trimethylspiro[1,3-dioxolane-2,7'-3,4-dihydroindene]-5'-one
SMILESCC1C(=O)C(C)(C)C2(OCCO2)C2=C1CC=C2
InChIInChI=1S/C14H18O3/c1-9-10-5-4-6-11(10)14(16-7-8-17-14)13(2,3)12(9)15/h4,6,9H,5,7-8H2,1-3H3
InChIKeyPTBVPMHTXRAZIX-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.23
Rot. Bonds

About 4',6',6'-trimethylspiro[1,3-dioxolane-2,7'-3,4-dihydroindene]-5'-one

4',6',6'-trimethylspiro[1,3-dioxolane-2,7'-3,4-dihydroindene]-5'-one (PubChem CID 10489875) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 4',6',6'-trimethylspiro[1,3-dioxolane-2,7'-3,4-dihydroindene]-5'-one.

Molecular Properties

Compound Name4',6',6'-trimethylspiro[1,3-dioxolane-2,7'-3,4-dihydroindene]-5'-one
PubChem CID10489875
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name4',6',6'-trimethylspiro[1,3-dioxolane-2,7'-3,4-dihydroindene]-5'-one
SMILESCC1C(=O)C(C)(C)C2(OCCO2)C2=C1CC=C2
InChIInChI=1S/C14H18O3/c1-9-10-5-4-6-11(10)14(16-7-8-17-14)13(2,3)12(9)15/h4,6,9H,5,7-8H2,1-3H3
InChIKeyPTBVPMHTXRAZIX-UHFFFAOYSA-N
XLogP2.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4',6',6'-trimethylspiro[1,3-dioxolane-2,7'-3,4-dihydroindene]-5'-one?
The IUPAC name of 4',6',6'-trimethylspiro[1,3-dioxolane-2,7'-3,4-dihydroindene]-5'-one (CID 10489875) is 4',6',6'-trimethylspiro[1,3-dioxolane-2,7'-3,4-dihydroindene]-5'-one.
What is the SMILES notation for 4',6',6'-trimethylspiro[1,3-dioxolane-2,7'-3,4-dihydroindene]-5'-one?
The canonical SMILES for 4',6',6'-trimethylspiro[1,3-dioxolane-2,7'-3,4-dihydroindene]-5'-one is CC1C(=O)C(C)(C)C2(OCCO2)C2=C1CC=C2.
What is the InChIKey of 4',6',6'-trimethylspiro[1,3-dioxolane-2,7'-3,4-dihydroindene]-5'-one?
The InChIKey is PTBVPMHTXRAZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-9-10-5-4-6-11(10)14(16-7-8-17-14)13(2,3)12(9)15/h4,6,9H,5,7-8H2,1-3H3.
What are the key properties of 4',6',6'-trimethylspiro[1,3-dioxolane-2,7'-3,4-dihydroindene]-5'-one?
4',6',6'-trimethylspiro[1,3-dioxolane-2,7'-3,4-dihydroindene]-5'-one has a molecular weight of 234.29 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4',6',6'-trimethylspiro[1,3-dioxolane-2,7'-3,4-dihydroindene]-5'-one is sourced from PubChem (CID 10489875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).