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

C21H36OSi2 — CID 87976311

IUPAC[2-tert-butyl-1-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-4-methylcyclohexa-2,4-dien-1-yl]oxy-trimethylsilane
SMILESCC1=CCC(O[Si](C)(C)C)([Si](C)(C)C2=CCC=C2)C(C(C)(C)C)=C1
InChIInChI=1S/C21H36OSi2/c1-17-14-15-21(22-23(5,6)7,19(16-17)20(2,3)4)24(8,9)18-12-10-11-13-18/h10,12-14,16H,11,15H2,1-9H3
InChIKeyUGAMGBHORNVMBY-UHFFFAOYSA-N
MW360.69 g/mol
LogP6.57
Rot. Bonds4

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

[2-tert-butyl-1-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-4-methylcyclohexa-2,4-dien-1-yl]oxy-trimethylsilane (PubChem CID 87976311) has the molecular formula C21H36OSi2 and a molecular weight of 360.69 g/mol. Its IUPAC name is [2-tert-butyl-1-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-4-methylcyclohexa-2,4-dien-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[2-tert-butyl-1-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-4-methylcyclohexa-2,4-dien-1-yl]oxy-trimethylsilane
PubChem CID87976311
Molecular FormulaC21H36OSi2
Molecular Weight360.69 g/mol
Exact Mass360.23
IUPAC Name[2-tert-butyl-1-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-4-methylcyclohexa-2,4-dien-1-yl]oxy-trimethylsilane
SMILESCC1=CCC(O[Si](C)(C)C)([Si](C)(C)C2=CCC=C2)C(C(C)(C)C)=C1
InChIInChI=1S/C21H36OSi2/c1-17-14-15-21(22-23(5,6)7,19(16-17)20(2,3)4)24(8,9)18-12-10-11-13-18/h10,12-14,16H,11,15H2,1-9H3
InChIKeyUGAMGBHORNVMBY-UHFFFAOYSA-N
XLogP6.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.69
LogP ≤ 56.57
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]-4-methylcyclohexa-2,4-dien-1-yl]oxy-trimethylsilane?
The IUPAC name of [2-tert-butyl-1-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-4-methylcyclohexa-2,4-dien-1-yl]oxy-trimethylsilane (CID 87976311) is [2-tert-butyl-1-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-4-methylcyclohexa-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]-4-methylcyclohexa-2,4-dien-1-yl]oxy-trimethylsilane?
The canonical SMILES for [2-tert-butyl-1-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-4-methylcyclohexa-2,4-dien-1-yl]oxy-trimethylsilane is CC1=CCC(O[Si](C)(C)C)([Si](C)(C)C2=CCC=C2)C(C(C)(C)C)=C1.
What is the InChIKey of [2-tert-butyl-1-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-4-methylcyclohexa-2,4-dien-1-yl]oxy-trimethylsilane?
The InChIKey is UGAMGBHORNVMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36OSi2/c1-17-14-15-21(22-23(5,6)7,19(16-17)20(2,3)4)24(8,9)18-12-10-11-13-18/h10,12-14,16H,11,15H2,1-9H3.
What are the key properties of [2-tert-butyl-1-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-4-methylcyclohexa-2,4-dien-1-yl]oxy-trimethylsilane?
[2-tert-butyl-1-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-4-methylcyclohexa-2,4-dien-1-yl]oxy-trimethylsilane has a molecular weight of 360.69 g/mol, XLogP of 6.57, 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]-4-methylcyclohexa-2,4-dien-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 87976311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).