(1,2-ditert-butyl-6,7-dimethyl-4-trimethylsilyl-4-silaspiro[2.5]octa-1,6-dien-4-yl)-trimethylsilane

C23H46Si3 — CID 15785487

IUPAC(1,2-ditert-butyl-6,7-dimethyl-4-trimethylsilyl-4-silaspiro[2.5]octa-1,6-dien-4-yl)-trimethylsilane
SMILESCC1=C(C)C[Si]([Si](C)(C)C)([Si](C)(C)C)C2(C1)C(C(C)(C)C)=C2C(C)(C)C
InChIInChI=1S/C23H46Si3/c1-17-15-23(19(21(3,4)5)20(23)22(6,7)8)26(16-18(17)2,24(9,10)11)25(12,13)14/h15-16H2,1-14H3
InChIKeyUAFPSRANYAYOBL-UHFFFAOYSA-N
MW406.88 g/mol
LogP8.15
Rot. Bonds2

About (1,2-ditert-butyl-6,7-dimethyl-4-trimethylsilyl-4-silaspiro[2.5]octa-1,6-dien-4-yl)-trimethylsilane

(1,2-ditert-butyl-6,7-dimethyl-4-trimethylsilyl-4-silaspiro[2.5]octa-1,6-dien-4-yl)-trimethylsilane (PubChem CID 15785487) has the molecular formula C23H46Si3 and a molecular weight of 406.88 g/mol. Its IUPAC name is (1,2-ditert-butyl-6,7-dimethyl-4-trimethylsilyl-4-silaspiro[2.5]octa-1,6-dien-4-yl)-trimethylsilane.

Molecular Properties

Compound Name(1,2-ditert-butyl-6,7-dimethyl-4-trimethylsilyl-4-silaspiro[2.5]octa-1,6-dien-4-yl)-trimethylsilane
PubChem CID15785487
Molecular FormulaC23H46Si3
Molecular Weight406.88 g/mol
Exact Mass406.29
IUPAC Name(1,2-ditert-butyl-6,7-dimethyl-4-trimethylsilyl-4-silaspiro[2.5]octa-1,6-dien-4-yl)-trimethylsilane
SMILESCC1=C(C)C[Si]([Si](C)(C)C)([Si](C)(C)C)C2(C1)C(C(C)(C)C)=C2C(C)(C)C
InChIInChI=1S/C23H46Si3/c1-17-15-23(19(21(3,4)5)20(23)22(6,7)8)26(16-18(17)2,24(9,10)11)25(12,13)14/h15-16H2,1-14H3
InChIKeyUAFPSRANYAYOBL-UHFFFAOYSA-N
XLogP8.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.88
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1,2,3-Tritert-butylcycloprop-2-en-1-yl)-bis(trimethylsilyl)phosphane
CID 13811034
Tert-butyl-[[tert-butyl(dimethyl)silyl]-(2,3-ditert-butylcycloprop-2-en-1-ylidene)silyl]-dimethylsilane
CID 101103219
[2-(4-Tert-butylcyclohexylidene)-3-trimethylsilylpropyl]-trimethylsilane
CID 102154705
CID 176542871
CID 176542871
[3-(4,4-Dimethylcyclohexylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane
CID 10881642
[5-[Dimethyl(3-methylbut-2-en-2-yl)silyl]-3,4,4-trimethylpent-2-en-2-yl]-dimethyl-[2-methyl-2-[2-(2-methyl-1-trimethylsilylpropan-2-yl)cyclopropyl]propyl]silane
CID 59963032
trimethyl-(1,2,3,4-tetratert-butyl-2H-silet-1-yl)silane
CID 10499172
CID 10618940
CID 10618940
[(Z)-5-[dimethyl(3-methylbut-2-en-2-yl)silyl]-3,4,4-trimethylpent-2-en-2-yl]-dimethyl-[2-methyl-2-[2-(2-methyl-1-trimethylsilylpropan-2-yl)cyclopropyl]propyl]silane
CID 20671407
CID 100919816
CID 100919816
CID 101022070
CID 101022070
Tert-butyl-[[tert-butyl(dimethyl)silyl]-(2,3-ditert-butylcyclopent-2-en-1-ylidene)silyl]-dimethylsilane
CID 101129918

Frequently Asked Questions

What is the IUPAC name of (1,2-ditert-butyl-6,7-dimethyl-4-trimethylsilyl-4-silaspiro[2.5]octa-1,6-dien-4-yl)-trimethylsilane?
The IUPAC name of (1,2-ditert-butyl-6,7-dimethyl-4-trimethylsilyl-4-silaspiro[2.5]octa-1,6-dien-4-yl)-trimethylsilane (CID 15785487) is (1,2-ditert-butyl-6,7-dimethyl-4-trimethylsilyl-4-silaspiro[2.5]octa-1,6-dien-4-yl)-trimethylsilane.
What is the SMILES notation for (1,2-ditert-butyl-6,7-dimethyl-4-trimethylsilyl-4-silaspiro[2.5]octa-1,6-dien-4-yl)-trimethylsilane?
The canonical SMILES for (1,2-ditert-butyl-6,7-dimethyl-4-trimethylsilyl-4-silaspiro[2.5]octa-1,6-dien-4-yl)-trimethylsilane is CC1=C(C)C[Si]([Si](C)(C)C)([Si](C)(C)C)C2(C1)C(C(C)(C)C)=C2C(C)(C)C.
What is the InChIKey of (1,2-ditert-butyl-6,7-dimethyl-4-trimethylsilyl-4-silaspiro[2.5]octa-1,6-dien-4-yl)-trimethylsilane?
The InChIKey is UAFPSRANYAYOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46Si3/c1-17-15-23(19(21(3,4)5)20(23)22(6,7)8)26(16-18(17)2,24(9,10)11)25(12,13)14/h15-16H2,1-14H3.
What are the key properties of (1,2-ditert-butyl-6,7-dimethyl-4-trimethylsilyl-4-silaspiro[2.5]octa-1,6-dien-4-yl)-trimethylsilane?
(1,2-ditert-butyl-6,7-dimethyl-4-trimethylsilyl-4-silaspiro[2.5]octa-1,6-dien-4-yl)-trimethylsilane has a molecular weight of 406.88 g/mol, XLogP of 8.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-ditert-butyl-6,7-dimethyl-4-trimethylsilyl-4-silaspiro[2.5]octa-1,6-dien-4-yl)-trimethylsilane is sourced from PubChem (CID 15785487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).