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

C20H34O2Si2 — CID 100968418

IUPAC5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-trimethylsilyl-2,3-dihydroinden-1-one
SMILESCC(C)(C)[Si](C)(C)OCCc1cc2c(c([Si](C)(C)C)c1)C(=O)CC2
InChIInChI=1S/C20H34O2Si2/c1-20(2,3)24(7,8)22-12-11-15-13-16-9-10-17(21)19(16)18(14-15)23(4,5)6/h13-14H,9-12H2,1-8H3
InChIKeyYQLHGUIHIUSMRU-UHFFFAOYSA-N
MW362.66 g/mol
LogP4.93
Rot. Bonds5

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

5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-trimethylsilyl-2,3-dihydroinden-1-one (PubChem CID 100968418) has the molecular formula C20H34O2Si2 and a molecular weight of 362.66 g/mol. Its IUPAC name is 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-trimethylsilyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-trimethylsilyl-2,3-dihydroinden-1-one
PubChem CID100968418
Molecular FormulaC20H34O2Si2
Molecular Weight362.66 g/mol
Exact Mass362.21
IUPAC Name5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-trimethylsilyl-2,3-dihydroinden-1-one
SMILESCC(C)(C)[Si](C)(C)OCCc1cc2c(c([Si](C)(C)C)c1)C(=O)CC2
InChIInChI=1S/C20H34O2Si2/c1-20(2,3)24(7,8)22-12-11-15-13-16-9-10-17(21)19(16)18(14-15)23(4,5)6/h13-14H,9-12H2,1-8H3
InChIKeyYQLHGUIHIUSMRU-UHFFFAOYSA-N
XLogP4.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.66
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
Pterosin Z
CID 134977
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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-trimethylsilyl-2,3-dihydroinden-1-one?
The IUPAC name of 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-trimethylsilyl-2,3-dihydroinden-1-one (CID 100968418) is 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-trimethylsilyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-trimethylsilyl-2,3-dihydroinden-1-one?
The canonical SMILES for 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-trimethylsilyl-2,3-dihydroinden-1-one is CC(C)(C)[Si](C)(C)OCCc1cc2c(c([Si](C)(C)C)c1)C(=O)CC2.
What is the InChIKey of 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-trimethylsilyl-2,3-dihydroinden-1-one?
The InChIKey is YQLHGUIHIUSMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2Si2/c1-20(2,3)24(7,8)22-12-11-15-13-16-9-10-17(21)19(16)18(14-15)23(4,5)6/h13-14H,9-12H2,1-8H3.
What are the key properties of 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-trimethylsilyl-2,3-dihydroinden-1-one?
5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-trimethylsilyl-2,3-dihydroinden-1-one has a molecular weight of 362.66 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-trimethylsilyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 100968418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).