5,7-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroinden-1-one

C25H44O3Si2 — CID 11730047

IUPAC5,7-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroinden-1-one
SMILESCC(C)(C)[Si](C)(C)OCCc1cc(CCO[Si](C)(C)C(C)(C)C)c2c(c1)CCC2=O
InChIInChI=1S/C25H44O3Si2/c1-24(2,3)29(7,8)27-15-13-19-17-20-11-12-22(26)23(20)21(18-19)14-16-28-30(9,10)25(4,5)6/h17-18H,11-16H2,1-10H3
InChIKeyYEAYEKZPFIXBQJ-UHFFFAOYSA-N
MW448.80 g/mol
LogP6.94
Rot. Bonds8

About 5,7-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroinden-1-one

5,7-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroinden-1-one (PubChem CID 11730047) has the molecular formula C25H44O3Si2 and a molecular weight of 448.80 g/mol. Its IUPAC name is 5,7-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5,7-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroinden-1-one
PubChem CID11730047
Molecular FormulaC25H44O3Si2
Molecular Weight448.80 g/mol
Exact Mass448.28
IUPAC Name5,7-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroinden-1-one
SMILESCC(C)(C)[Si](C)(C)OCCc1cc(CCO[Si](C)(C)C(C)(C)C)c2c(c1)CCC2=O
InChIInChI=1S/C25H44O3Si2/c1-24(2,3)29(7,8)27-15-13-19-17-20-11-12-22(26)23(20)21(18-19)14-16-28-30(9,10)25(4,5)6/h17-18H,11-16H2,1-10H3
InChIKeyYEAYEKZPFIXBQJ-UHFFFAOYSA-N
XLogP6.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.80
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(R)-Pterosin B
CID 5320780
Pterosin B
CID 115049
6-(2-methoxyethyl)-2,5,7-trimethyl-2,3-dihydro-1H-inden-1-one
CID 53462368
Pterosin O
CID 135255
Pterosin I
CID 161891
(2S)-Pterosin B
CID 12314748
Pterosin B acetate
CID 152950
Cystercorotone
CID 170989600
1-[4-Methyl-2,6-bis(2-triethoxysilylethyl)phenyl]ethanone
CID 86182095
Hexadecanoic acid, 2-(2,3-dihydro-2,4,6-trimethyl-3-oxo-1H-inden-5-yl)ethyl ester, (-)-
CID 148315
6-(2-Hexadecoxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one
CID 162914774
2-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-4-trimethylsilyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 100968413

Frequently Asked Questions

What is the IUPAC name of 5,7-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroinden-1-one?
The IUPAC name of 5,7-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroinden-1-one (CID 11730047) is 5,7-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 5,7-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroinden-1-one?
The canonical SMILES for 5,7-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroinden-1-one is CC(C)(C)[Si](C)(C)OCCc1cc(CCO[Si](C)(C)C(C)(C)C)c2c(c1)CCC2=O.
What is the InChIKey of 5,7-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroinden-1-one?
The InChIKey is YEAYEKZPFIXBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44O3Si2/c1-24(2,3)29(7,8)27-15-13-19-17-20-11-12-22(26)23(20)21(18-19)14-16-28-30(9,10)25(4,5)6/h17-18H,11-16H2,1-10H3.
What are the key properties of 5,7-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroinden-1-one?
5,7-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroinden-1-one has a molecular weight of 448.80 g/mol, XLogP of 6.94, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 11730047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).