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

C20H34OSi2 — CID 87976357

IUPAC[2-tert-butyl-1-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]cyclohexa-2,4-dien-1-yl]oxy-trimethylsilane
SMILESCC(C)(C)C1=CC=CCC1(O[Si](C)(C)C)[Si](C)(C)C1=CCC=C1
InChIInChI=1S/C20H34OSi2/c1-19(2,3)18-15-11-12-16-20(18,21-22(4,5)6)23(7,8)17-13-9-10-14-17/h9,11-15H,10,16H2,1-8H3
InChIKeyXZKAIYSVPRZTFU-UHFFFAOYSA-N
MW346.66 g/mol
LogP6.18
Rot. Bonds4

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

[2-tert-butyl-1-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]cyclohexa-2,4-dien-1-yl]oxy-trimethylsilane (PubChem CID 87976357) has the molecular formula C20H34OSi2 and a molecular weight of 346.66 g/mol. Its IUPAC name is [2-tert-butyl-1-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]cyclohexa-2,4-dien-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[2-tert-butyl-1-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]cyclohexa-2,4-dien-1-yl]oxy-trimethylsilane
PubChem CID87976357
Molecular FormulaC20H34OSi2
Molecular Weight346.66 g/mol
Exact Mass346.21
IUPAC Name[2-tert-butyl-1-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]cyclohexa-2,4-dien-1-yl]oxy-trimethylsilane
SMILESCC(C)(C)C1=CC=CCC1(O[Si](C)(C)C)[Si](C)(C)C1=CCC=C1
InChIInChI=1S/C20H34OSi2/c1-19(2,3)18-15-11-12-16-20(18,21-22(4,5)6)23(7,8)17-13-9-10-14-17/h9,11-15H,10,16H2,1-8H3
InChIKeyXZKAIYSVPRZTFU-UHFFFAOYSA-N
XLogP6.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.66
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 [2-tert-butyl-1-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]cyclohexa-2,4-dien-1-yl]oxy-trimethylsilane?
The IUPAC name of [2-tert-butyl-1-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]cyclohexa-2,4-dien-1-yl]oxy-trimethylsilane (CID 87976357) is [2-tert-butyl-1-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]cyclohexa-2,4-dien-1-yl]oxy-trimethylsilane.
What is the SMILES notation for [2-tert-butyl-1-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]cyclohexa-2,4-dien-1-yl]oxy-trimethylsilane?
The canonical SMILES for [2-tert-butyl-1-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]cyclohexa-2,4-dien-1-yl]oxy-trimethylsilane is CC(C)(C)C1=CC=CCC1(O[Si](C)(C)C)[Si](C)(C)C1=CCC=C1.
What is the InChIKey of [2-tert-butyl-1-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]cyclohexa-2,4-dien-1-yl]oxy-trimethylsilane?
The InChIKey is XZKAIYSVPRZTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34OSi2/c1-19(2,3)18-15-11-12-16-20(18,21-22(4,5)6)23(7,8)17-13-9-10-14-17/h9,11-15H,10,16H2,1-8H3.
What are the key properties of [2-tert-butyl-1-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]cyclohexa-2,4-dien-1-yl]oxy-trimethylsilane?
[2-tert-butyl-1-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]cyclohexa-2,4-dien-1-yl]oxy-trimethylsilane has a molecular weight of 346.66 g/mol, XLogP of 6.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-1-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]cyclohexa-2,4-dien-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 87976357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).