2'-(2,4-dimethyl-3-oxopentan-2-yl)-4',4',6',6'-tetramethylspiro[1,3-dioxolane-2,7'-1H-indene]-5'-one

C22H32O4 — CID 10713564

IUPAC2'-(2,4-dimethyl-3-oxopentan-2-yl)-4',4',6',6'-tetramethylspiro[1,3-dioxolane-2,7'-1H-indene]-5'-one
SMILESCC(C)C(=O)C(C)(C)C1=CC2=C(C1)C1(OCCO1)C(C)(C)C(=O)C2(C)C
InChIInChI=1S/C22H32O4/c1-13(2)17(23)19(3,4)14-11-15-16(12-14)22(25-9-10-26-22)21(7,8)18(24)20(15,5)6/h11,13H,9-10,12H2,1-8H3
InChIKeyLTDCXPQXBNUFKS-UHFFFAOYSA-N
MW360.49 g/mol
LogP4.24
Rot. Bonds3

About 2'-(2,4-dimethyl-3-oxopentan-2-yl)-4',4',6',6'-tetramethylspiro[1,3-dioxolane-2,7'-1H-indene]-5'-one

2'-(2,4-dimethyl-3-oxopentan-2-yl)-4',4',6',6'-tetramethylspiro[1,3-dioxolane-2,7'-1H-indene]-5'-one (PubChem CID 10713564) has the molecular formula C22H32O4 and a molecular weight of 360.49 g/mol. Its IUPAC name is 2'-(2,4-dimethyl-3-oxopentan-2-yl)-4',4',6',6'-tetramethylspiro[1,3-dioxolane-2,7'-1H-indene]-5'-one.

Molecular Properties

Compound Name2'-(2,4-dimethyl-3-oxopentan-2-yl)-4',4',6',6'-tetramethylspiro[1,3-dioxolane-2,7'-1H-indene]-5'-one
PubChem CID10713564
Molecular FormulaC22H32O4
Molecular Weight360.49 g/mol
Exact Mass360.23
IUPAC Name2'-(2,4-dimethyl-3-oxopentan-2-yl)-4',4',6',6'-tetramethylspiro[1,3-dioxolane-2,7'-1H-indene]-5'-one
SMILESCC(C)C(=O)C(C)(C)C1=CC2=C(C1)C1(OCCO1)C(C)(C)C(=O)C2(C)C
InChIInChI=1S/C22H32O4/c1-13(2)17(23)19(3,4)14-11-15-16(12-14)22(25-9-10-26-22)21(7,8)18(24)20(15,5)6/h11,13H,9-10,12H2,1-8H3
InChIKeyLTDCXPQXBNUFKS-UHFFFAOYSA-N
XLogP4.24
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2'-(2,4-dimethyl-3-oxopentan-2-yl)-4',4',6',6'-tetramethylspiro[1,3-dioxolane-2,7'-1H-indene]-5'-one?
The IUPAC name of 2'-(2,4-dimethyl-3-oxopentan-2-yl)-4',4',6',6'-tetramethylspiro[1,3-dioxolane-2,7'-1H-indene]-5'-one (CID 10713564) is 2'-(2,4-dimethyl-3-oxopentan-2-yl)-4',4',6',6'-tetramethylspiro[1,3-dioxolane-2,7'-1H-indene]-5'-one.
What is the SMILES notation for 2'-(2,4-dimethyl-3-oxopentan-2-yl)-4',4',6',6'-tetramethylspiro[1,3-dioxolane-2,7'-1H-indene]-5'-one?
The canonical SMILES for 2'-(2,4-dimethyl-3-oxopentan-2-yl)-4',4',6',6'-tetramethylspiro[1,3-dioxolane-2,7'-1H-indene]-5'-one is CC(C)C(=O)C(C)(C)C1=CC2=C(C1)C1(OCCO1)C(C)(C)C(=O)C2(C)C.
What is the InChIKey of 2'-(2,4-dimethyl-3-oxopentan-2-yl)-4',4',6',6'-tetramethylspiro[1,3-dioxolane-2,7'-1H-indene]-5'-one?
The InChIKey is LTDCXPQXBNUFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O4/c1-13(2)17(23)19(3,4)14-11-15-16(12-14)22(25-9-10-26-22)21(7,8)18(24)20(15,5)6/h11,13H,9-10,12H2,1-8H3.
What are the key properties of 2'-(2,4-dimethyl-3-oxopentan-2-yl)-4',4',6',6'-tetramethylspiro[1,3-dioxolane-2,7'-1H-indene]-5'-one?
2'-(2,4-dimethyl-3-oxopentan-2-yl)-4',4',6',6'-tetramethylspiro[1,3-dioxolane-2,7'-1H-indene]-5'-one has a molecular weight of 360.49 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(2,4-dimethyl-3-oxopentan-2-yl)-4',4',6',6'-tetramethylspiro[1,3-dioxolane-2,7'-1H-indene]-5'-one is sourced from PubChem (CID 10713564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).