bis[(1R)-2,4-ditert-butylcyclopenta-2,4-dien-1-yl]-dimethylsilane

C28H48Si — CID 139174999

IUPACbis[(1R)-2,4-ditert-butylcyclopenta-2,4-dien-1-yl]-dimethylsilane
SMILESCC(C)(C)C1=C[C@@H]([Si](C)(C)[C@@H]2C=C(C(C)(C)C)C=C2C(C)(C)C)C(C(C)(C)C)=C1
InChIInChI=1S/C28H48Si/c1-25(2,3)19-15-21(27(7,8)9)23(17-19)29(13,14)24-18-20(26(4,5)6)16-22(24)28(10,11)12/h15-18,23-24H,1-14H3/t23-,24-/m1/s1
InChIKeyNDGWJONILSEQEH-DNQXCXABSA-N
MW412.78 g/mol
LogP9.35
Rot. Bonds2

About bis[(1R)-2,4-ditert-butylcyclopenta-2,4-dien-1-yl]-dimethylsilane

bis[(1R)-2,4-ditert-butylcyclopenta-2,4-dien-1-yl]-dimethylsilane (PubChem CID 139174999) has the molecular formula C28H48Si and a molecular weight of 412.78 g/mol. Its IUPAC name is bis[(1R)-2,4-ditert-butylcyclopenta-2,4-dien-1-yl]-dimethylsilane.

Molecular Properties

Compound Namebis[(1R)-2,4-ditert-butylcyclopenta-2,4-dien-1-yl]-dimethylsilane
PubChem CID139174999
Molecular FormulaC28H48Si
Molecular Weight412.78 g/mol
Exact Mass412.35
IUPAC Namebis[(1R)-2,4-ditert-butylcyclopenta-2,4-dien-1-yl]-dimethylsilane
SMILESCC(C)(C)C1=C[C@@H]([Si](C)(C)[C@@H]2C=C(C(C)(C)C)C=C2C(C)(C)C)C(C(C)(C)C)=C1
InChIInChI=1S/C28H48Si/c1-25(2,3)19-15-21(27(7,8)9)23(17-19)29(13,14)24-18-20(26(4,5)6)16-22(24)28(10,11)12/h15-18,23-24H,1-14H3/t23-,24-/m1/s1
InChIKeyNDGWJONILSEQEH-DNQXCXABSA-N
XLogP9.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.78
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,8-Bis(4-methylpent-3-enyl)-5-silaspiro[4.4]nona-2,7-diene
CID 15049571
(5E)-1,3-ditert-butyl-5-(2,4-ditert-butylcyclopenta-2,4-dien-1-ylidene)cyclopenta-1,3-diene
CID 6314509
[(1R)-3,5-ditert-butyl-2-[[(5S)-2,4-ditert-butyl-5-trimethylsilylcyclopenta-1,3-dien-1-yl]disulfanyl]cyclopenta-2,4-dien-1-yl]-trimethylsilane
CID 102399135
1,3-Di-tert-butyl-6-(trimethylsilylethynyl)fulvene
CID 139067482
1,3-Cyclopentadiene, 5,5-dimethyl-1-(trimethylsilylmethyl)-
CID 552783
[3,5-Ditert-butyl-2-[(2,4-ditert-butyl-5-trimethylsilylcyclopenta-1,3-dien-1-yl)disulfanyl]cyclopenta-2,4-dien-1-yl]-trimethylsilane
CID 15272749
Silane, bis[3-(1,1-dimethylethyl)-2,4-cyclopentadien-1-yl]dimethyl-
CID 11001089
(3-Tert-butylcyclopenta-2,4-dien-1-yl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 12053436
Cyclopenta-2,4-dien-1-yl-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 12053442
Silane, bis(2,4-dimethyl-2,4-cyclopentadien-1-yl)dimethyl-
CID 12156406
Dimethylbis(2-methyl-4-tert-butylcyclopentadienyl)silane
CID 12156407
Bis(4-tert-butyl-2-trimethylsilylcyclopenta-2,4-dien-1-yl)-dimethylsilane
CID 12983335

Frequently Asked Questions

What is the IUPAC name of bis[(1R)-2,4-ditert-butylcyclopenta-2,4-dien-1-yl]-dimethylsilane?
The IUPAC name of bis[(1R)-2,4-ditert-butylcyclopenta-2,4-dien-1-yl]-dimethylsilane (CID 139174999) is bis[(1R)-2,4-ditert-butylcyclopenta-2,4-dien-1-yl]-dimethylsilane.
What is the SMILES notation for bis[(1R)-2,4-ditert-butylcyclopenta-2,4-dien-1-yl]-dimethylsilane?
The canonical SMILES for bis[(1R)-2,4-ditert-butylcyclopenta-2,4-dien-1-yl]-dimethylsilane is CC(C)(C)C1=C[C@@H]([Si](C)(C)[C@@H]2C=C(C(C)(C)C)C=C2C(C)(C)C)C(C(C)(C)C)=C1.
What is the InChIKey of bis[(1R)-2,4-ditert-butylcyclopenta-2,4-dien-1-yl]-dimethylsilane?
The InChIKey is NDGWJONILSEQEH-DNQXCXABSA-N. The full InChI is InChI=1S/C28H48Si/c1-25(2,3)19-15-21(27(7,8)9)23(17-19)29(13,14)24-18-20(26(4,5)6)16-22(24)28(10,11)12/h15-18,23-24H,1-14H3/t23-,24-/m1/s1.
What are the key properties of bis[(1R)-2,4-ditert-butylcyclopenta-2,4-dien-1-yl]-dimethylsilane?
bis[(1R)-2,4-ditert-butylcyclopenta-2,4-dien-1-yl]-dimethylsilane has a molecular weight of 412.78 g/mol, XLogP of 9.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(1R)-2,4-ditert-butylcyclopenta-2,4-dien-1-yl]-dimethylsilane is sourced from PubChem (CID 139174999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).