[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenta-2,4-dien-1-yl]-trimethylsilane

C20H42O2Si3 — CID 23115147

IUPAC[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenta-2,4-dien-1-yl]-trimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1=CC([Si](C)(C)C)C=C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O2Si3/c1-19(2,3)24(10,11)21-17-14-16(23(7,8)9)15-18(17)22-25(12,13)20(4,5)6/h14-16H,1-13H3
InChIKeyKGQGEFUKEIOIOB-UHFFFAOYSA-N
MW398.81 g/mol
LogP7.52
Rot. Bonds5

About [3,4-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenta-2,4-dien-1-yl]-trimethylsilane

[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenta-2,4-dien-1-yl]-trimethylsilane (PubChem CID 23115147) has the molecular formula C20H42O2Si3 and a molecular weight of 398.81 g/mol. Its IUPAC name is [3,4-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenta-2,4-dien-1-yl]-trimethylsilane.

Molecular Properties

Compound Name[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenta-2,4-dien-1-yl]-trimethylsilane
PubChem CID23115147
Molecular FormulaC20H42O2Si3
Molecular Weight398.81 g/mol
Exact Mass398.25
IUPAC Name[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenta-2,4-dien-1-yl]-trimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1=CC([Si](C)(C)C)C=C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O2Si3/c1-19(2,3)24(10,11)21-17-14-16(23(7,8)9)15-18(17)22-25(12,13)20(4,5)6/h14-16H,1-13H3
InChIKeyKGQGEFUKEIOIOB-UHFFFAOYSA-N
XLogP7.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.81
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3,4-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenta-2,4-dien-1-yl]-trimethylsilane?
The IUPAC name of [3,4-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenta-2,4-dien-1-yl]-trimethylsilane (CID 23115147) is [3,4-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenta-2,4-dien-1-yl]-trimethylsilane.
What is the SMILES notation for [3,4-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenta-2,4-dien-1-yl]-trimethylsilane?
The canonical SMILES for [3,4-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenta-2,4-dien-1-yl]-trimethylsilane is CC(C)(C)[Si](C)(C)OC1=CC([Si](C)(C)C)C=C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [3,4-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenta-2,4-dien-1-yl]-trimethylsilane?
The InChIKey is KGQGEFUKEIOIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O2Si3/c1-19(2,3)24(10,11)21-17-14-16(23(7,8)9)15-18(17)22-25(12,13)20(4,5)6/h14-16H,1-13H3.
What are the key properties of [3,4-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenta-2,4-dien-1-yl]-trimethylsilane?
[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenta-2,4-dien-1-yl]-trimethylsilane has a molecular weight of 398.81 g/mol, XLogP of 7.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenta-2,4-dien-1-yl]-trimethylsilane is sourced from PubChem (CID 23115147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).