cyclopenta-1,4-dien-1-yl-(2,4-ditert-butyl-1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)-dimethylsilane

C24H42OSi2 — CID 87976730

IUPACcyclopenta-1,4-dien-1-yl-(2,4-ditert-butyl-1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)-dimethylsilane
SMILESCC(C)(C)C1=CCC(O[Si](C)(C)C)([Si](C)(C)C2=CCC=C2)C(C(C)(C)C)=C1
InChIInChI=1S/C24H42OSi2/c1-22(2,3)19-16-17-24(25-26(7,8)9,21(18-19)23(4,5)6)27(10,11)20-14-12-13-15-20/h12,14-16,18H,13,17H2,1-11H3
InChIKeyBRLTVGKIGAKNMI-UHFFFAOYSA-N
MW402.77 g/mol
LogP7.60
Rot. Bonds4

About cyclopenta-1,4-dien-1-yl-(2,4-ditert-butyl-1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)-dimethylsilane

cyclopenta-1,4-dien-1-yl-(2,4-ditert-butyl-1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)-dimethylsilane (PubChem CID 87976730) has the molecular formula C24H42OSi2 and a molecular weight of 402.77 g/mol. Its IUPAC name is cyclopenta-1,4-dien-1-yl-(2,4-ditert-butyl-1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)-dimethylsilane.

Molecular Properties

Compound Namecyclopenta-1,4-dien-1-yl-(2,4-ditert-butyl-1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)-dimethylsilane
PubChem CID87976730
Molecular FormulaC24H42OSi2
Molecular Weight402.77 g/mol
Exact Mass402.28
IUPAC Namecyclopenta-1,4-dien-1-yl-(2,4-ditert-butyl-1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)-dimethylsilane
SMILESCC(C)(C)C1=CCC(O[Si](C)(C)C)([Si](C)(C)C2=CCC=C2)C(C(C)(C)C)=C1
InChIInChI=1S/C24H42OSi2/c1-22(2,3)19-16-17-24(25-26(7,8)9,21(18-19)23(4,5)6)27(10,11)20-14-12-13-15-20/h12,14-16,18H,13,17H2,1-11H3
InChIKeyBRLTVGKIGAKNMI-UHFFFAOYSA-N
XLogP7.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.77
LogP ≤ 57.60
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 cyclopenta-1,4-dien-1-yl-(2,4-ditert-butyl-1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)-dimethylsilane?
The IUPAC name of cyclopenta-1,4-dien-1-yl-(2,4-ditert-butyl-1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)-dimethylsilane (CID 87976730) is cyclopenta-1,4-dien-1-yl-(2,4-ditert-butyl-1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)-dimethylsilane.
What is the SMILES notation for cyclopenta-1,4-dien-1-yl-(2,4-ditert-butyl-1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)-dimethylsilane?
The canonical SMILES for cyclopenta-1,4-dien-1-yl-(2,4-ditert-butyl-1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)-dimethylsilane is CC(C)(C)C1=CCC(O[Si](C)(C)C)([Si](C)(C)C2=CCC=C2)C(C(C)(C)C)=C1.
What is the InChIKey of cyclopenta-1,4-dien-1-yl-(2,4-ditert-butyl-1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)-dimethylsilane?
The InChIKey is BRLTVGKIGAKNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42OSi2/c1-22(2,3)19-16-17-24(25-26(7,8)9,21(18-19)23(4,5)6)27(10,11)20-14-12-13-15-20/h12,14-16,18H,13,17H2,1-11H3.
What are the key properties of cyclopenta-1,4-dien-1-yl-(2,4-ditert-butyl-1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)-dimethylsilane?
cyclopenta-1,4-dien-1-yl-(2,4-ditert-butyl-1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)-dimethylsilane has a molecular weight of 402.77 g/mol, XLogP of 7.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,4-dien-1-yl-(2,4-ditert-butyl-1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)-dimethylsilane is sourced from PubChem (CID 87976730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).