2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-trimethylsilyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-one

C22H38O2Si2 — CID 100968413

IUPAC2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-trimethylsilyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
SMILESCC(C)(C)[Si](C)(C)OCCc1cc2c(c([Si](C)(C)C)c1)C(=O)CCCC2
InChIInChI=1S/C22H38O2Si2/c1-22(2,3)26(7,8)24-14-13-17-15-18-11-9-10-12-19(23)21(18)20(16-17)25(4,5)6/h15-16H,9-14H2,1-8H3
InChIKeyQUHXRTQICAHFST-UHFFFAOYSA-N
MW390.72 g/mol
LogP5.71
Rot. Bonds5

About 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-trimethylsilyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-one

2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-trimethylsilyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-one (PubChem CID 100968413) has the molecular formula C22H38O2Si2 and a molecular weight of 390.72 g/mol. Its IUPAC name is 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-trimethylsilyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-one.

Molecular Properties

Compound Name2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-trimethylsilyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
PubChem CID100968413
Molecular FormulaC22H38O2Si2
Molecular Weight390.72 g/mol
Exact Mass390.24
IUPAC Name2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-trimethylsilyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
SMILESCC(C)(C)[Si](C)(C)OCCc1cc2c(c([Si](C)(C)C)c1)C(=O)CCCC2
InChIInChI=1S/C22H38O2Si2/c1-22(2,3)26(7,8)24-14-13-17-15-18-11-9-10-12-19(23)21(18)20(16-17)25(4,5)6/h15-16H,9-14H2,1-8H3
InChIKeyQUHXRTQICAHFST-UHFFFAOYSA-N
XLogP5.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.72
LogP ≤ 55.71
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

1-{2,6-Bis[2-(triethoxysilyl)ethyl]phenyl}ethan-1-one
CID 21633602
1-{4-Methyl-2-[2-(triethoxysilyl)ethyl]phenyl}ethan-1-one
CID 71353759
1-[4-Methyl-2,6-bis(2-triethoxysilylethyl)phenyl]ethanone
CID 86182095
1-[5-Methyl-2-(2-triethoxysilylethyl)phenyl]ethanone
CID 86185858
5-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-7-trimethylsilyl-2,3-dihydroinden-1-one
CID 100968418
7-Tert-butyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroinden-1-one
CID 100968423
6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-trimethylsilyl-3,4-dihydro-2H-naphthalen-1-one
CID 100968424
4-(((Tert-butyldimethylsilyl)oxy)methyl)-2-methylbenzaldehyde
CID 102361551
4-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2-fluoro-6-methylbenzaldehyde
CID 172585656
2-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-5-(trifluoromethyl)benzaldehyde
CID 173756773
1-(1-methyl-2-trimethylsilyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)ethanone
CID 14295015
7-[[Tert-butyl(dimethyl)silyl]oxymethyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 60200802

Frequently Asked Questions

What is the IUPAC name of 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-trimethylsilyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
The IUPAC name of 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-trimethylsilyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-one (CID 100968413) is 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-trimethylsilyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-one.
What is the SMILES notation for 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-trimethylsilyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
The canonical SMILES for 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-trimethylsilyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-one is CC(C)(C)[Si](C)(C)OCCc1cc2c(c([Si](C)(C)C)c1)C(=O)CCCC2.
What is the InChIKey of 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-trimethylsilyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
The InChIKey is QUHXRTQICAHFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O2Si2/c1-22(2,3)26(7,8)24-14-13-17-15-18-11-9-10-12-19(23)21(18)20(16-17)25(4,5)6/h15-16H,9-14H2,1-8H3.
What are the key properties of 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-trimethylsilyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-trimethylsilyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-one has a molecular weight of 390.72 g/mol, XLogP of 5.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-trimethylsilyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-one is sourced from PubChem (CID 100968413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).