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

C21H34O2Si — CID 100968423

IUPAC7-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroinden-1-one
SMILESCC(C)(C)c1cc(CCO[Si](C)(C)C(C)(C)C)cc2c1C(=O)CC2
InChIInChI=1S/C21H34O2Si/c1-20(2,3)17-14-15(13-16-9-10-18(22)19(16)17)11-12-23-24(7,8)21(4,5)6/h13-14H,9-12H2,1-8H3
InChIKeyMQESPIUYMKJFBR-UHFFFAOYSA-N
MW346.59 g/mol
LogP5.68
Rot. Bonds4

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

7-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroinden-1-one (PubChem CID 100968423) has the molecular formula C21H34O2Si and a molecular weight of 346.59 g/mol. Its IUPAC name is 7-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name7-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroinden-1-one
PubChem CID100968423
Molecular FormulaC21H34O2Si
Molecular Weight346.59 g/mol
Exact Mass346.23
IUPAC Name7-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroinden-1-one
SMILESCC(C)(C)c1cc(CCO[Si](C)(C)C(C)(C)C)cc2c1C(=O)CC2
InChIInChI=1S/C21H34O2Si/c1-20(2,3)17-14-15(13-16-9-10-18(22)19(16)17)11-12-23-24(7,8)21(4,5)6/h13-14H,9-12H2,1-8H3
InChIKeyMQESPIUYMKJFBR-UHFFFAOYSA-N
XLogP5.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.59
LogP ≤ 55.68
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

(2S)-2,3-Dihydro-6-(2-hydroxyethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-1H-inden-1-one
CID 135017
(R)-Pterosin B
CID 5320780
Pterosin B
CID 115049
6-(2-hydroxyethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-2,3-dihydro-1H-inden-1-one
CID 5320779
Pterosin Z
CID 134977
6-(2-methoxyethyl)-2,5,7-trimethyl-2,3-dihydro-1H-inden-1-one
CID 53462368
Alcyopterosin C
CID 10540485
Alcyopterosin N
CID 10728290
Pterosin O
CID 135255
Pterosin I
CID 161891
(2S)-Pterosin B
CID 12314748
Pterosin B acetate
CID 152950

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroinden-1-one?
The IUPAC name of 7-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroinden-1-one (CID 100968423) is 7-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 7-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroinden-1-one?
The canonical SMILES for 7-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroinden-1-one is CC(C)(C)c1cc(CCO[Si](C)(C)C(C)(C)C)cc2c1C(=O)CC2.
What is the InChIKey of 7-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroinden-1-one?
The InChIKey is MQESPIUYMKJFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O2Si/c1-20(2,3)17-14-15(13-16-9-10-18(22)19(16)17)11-12-23-24(7,8)21(4,5)6/h13-14H,9-12H2,1-8H3.
What are the key properties of 7-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroinden-1-one?
7-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroinden-1-one has a molecular weight of 346.59 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 100968423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).