[(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

C32H58S2Si2 — CID 102399135

IUPAC[(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
SMILESCC(C)(C)C1=CC(C(C)(C)C)=C(SSC2=C(C(C)(C)C)C=C(C(C)(C)C)[C@@H]2[Si](C)(C)C)[C@@H]1[Si](C)(C)C
InChIInChI=1S/C32H58S2Si2/c1-29(2,3)21-19-23(31(7,8)9)27(35(13,14)15)25(21)33-34-26-22(30(4,5)6)20-24(32(10,11)12)28(26)36(16,17)18/h19-20,27-28H,1-18H3/t27-,28+
InChIKeyHZCNHJVVQMAZNF-HNRBIFIRSA-N
MW563.12 g/mol
LogP12.36
Rot. Bonds5

About [(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

[(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 (PubChem CID 102399135) has the molecular formula C32H58S2Si2 and a molecular weight of 563.12 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID102399135
Molecular FormulaC32H58S2Si2
Molecular Weight563.12 g/mol
Exact Mass562.35
IUPAC Name[(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
SMILESCC(C)(C)C1=CC(C(C)(C)C)=C(SSC2=C(C(C)(C)C)C=C(C(C)(C)C)[C@@H]2[Si](C)(C)C)[C@@H]1[Si](C)(C)C
InChIInChI=1S/C32H58S2Si2/c1-29(2,3)21-19-23(31(7,8)9)27(35(13,14)15)25(21)33-34-26-22(30(4,5)6)20-24(32(10,11)12)28(26)36(16,17)18/h19-20,27-28H,1-18H3/t27-,28+
InChIKeyHZCNHJVVQMAZNF-HNRBIFIRSA-N
XLogP12.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.12
LogP ≤ 512.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(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 with MolForge

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Launch Full Analysis

Related Compounds

bis[(1R)-2,4-ditert-butylcyclopenta-2,4-dien-1-yl]-dimethylsilane
CID 139174999
[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
Bis(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane
CID 15820800
Bis(4-tert-butyl-2-trimethylsilylcyclopenta-1,3-dien-1-yl)-dimethylsilane
CID 54518904
Bis(2,4-ditert-butylcyclopenta-2,4-dien-1-yl)-dimethylsilane
CID 86034093
Bis(5-tert-butyl-2,3-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane
CID 139667902
Di(propan-2-yl)-bis(2-propan-2-yl-4-triethylsilylcyclopenta-2,4-dien-1-yl)silane
CID 139672565
Diethyl-bis(2-propan-2-yl-4-triethylsilylcyclopenta-2,4-dien-1-yl)silane
CID 139672579
Bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-di(propan-2-yl)silane
CID 139672583
Bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-dimethylsilane
CID 139672593
Di(butan-2-yl)-bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane
CID 139672594
Bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-diethylsilane
CID 139672607

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is CC(C)(C)C1=CC(C(C)(C)C)=C(SSC2=C(C(C)(C)C)C=C(C(C)(C)C)[C@@H]2[Si](C)(C)C)[C@@H]1[Si](C)(C)C.
What is the InChIKey of [(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?
The InChIKey is HZCNHJVVQMAZNF-HNRBIFIRSA-N. The full InChI is InChI=1S/C32H58S2Si2/c1-29(2,3)21-19-23(31(7,8)9)27(35(13,14)15)25(21)33-34-26-22(30(4,5)6)20-24(32(10,11)12)28(26)36(16,17)18/h19-20,27-28H,1-18H3/t27-,28+.
What are the key properties of [(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?
[(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 has a molecular weight of 563.12 g/mol, XLogP of 12.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 102399135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).