chloro-dimethyl-(2,3,4,5-tetratert-butylcyclopenta-2,4-dien-1-yl)silane

C23H43ClSi — CID 91392137

IUPACchloro-dimethyl-(2,3,4,5-tetratert-butylcyclopenta-2,4-dien-1-yl)silane
SMILESCC(C)(C)C1=C(C(C)(C)C)C([Si](C)(C)Cl)C(C(C)(C)C)=C1C(C)(C)C
InChIInChI=1S/C23H43ClSi/c1-20(2,3)15-16(21(4,5)6)18(23(10,11)12)19(25(13,14)24)17(15)22(7,8)9/h19H,1-14H3
InChIKeyRJGVZTGFUMXGGR-UHFFFAOYSA-N
MW383.14 g/mol
LogP8.59
Rot. Bonds1

About chloro-dimethyl-(2,3,4,5-tetratert-butylcyclopenta-2,4-dien-1-yl)silane

chloro-dimethyl-(2,3,4,5-tetratert-butylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 91392137) has the molecular formula C23H43ClSi and a molecular weight of 383.14 g/mol. Its IUPAC name is chloro-dimethyl-(2,3,4,5-tetratert-butylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Namechloro-dimethyl-(2,3,4,5-tetratert-butylcyclopenta-2,4-dien-1-yl)silane
PubChem CID91392137
Molecular FormulaC23H43ClSi
Molecular Weight383.14 g/mol
Exact Mass382.28
IUPAC Namechloro-dimethyl-(2,3,4,5-tetratert-butylcyclopenta-2,4-dien-1-yl)silane
SMILESCC(C)(C)C1=C(C(C)(C)C)C([Si](C)(C)Cl)C(C(C)(C)C)=C1C(C)(C)C
InChIInChI=1S/C23H43ClSi/c1-20(2,3)15-16(21(4,5)6)18(23(10,11)12)19(25(13,14)24)17(15)22(7,8)9/h19H,1-14H3
InChIKeyRJGVZTGFUMXGGR-UHFFFAOYSA-N
XLogP8.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.14
LogP ≤ 58.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-dimethyl-(2,3,4,5-tetratert-butylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of chloro-dimethyl-(2,3,4,5-tetratert-butylcyclopenta-2,4-dien-1-yl)silane (CID 91392137) is chloro-dimethyl-(2,3,4,5-tetratert-butylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for chloro-dimethyl-(2,3,4,5-tetratert-butylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for chloro-dimethyl-(2,3,4,5-tetratert-butylcyclopenta-2,4-dien-1-yl)silane is CC(C)(C)C1=C(C(C)(C)C)C([Si](C)(C)Cl)C(C(C)(C)C)=C1C(C)(C)C.
What is the InChIKey of chloro-dimethyl-(2,3,4,5-tetratert-butylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is RJGVZTGFUMXGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43ClSi/c1-20(2,3)15-16(21(4,5)6)18(23(10,11)12)19(25(13,14)24)17(15)22(7,8)9/h19H,1-14H3.
What are the key properties of chloro-dimethyl-(2,3,4,5-tetratert-butylcyclopenta-2,4-dien-1-yl)silane?
chloro-dimethyl-(2,3,4,5-tetratert-butylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 383.14 g/mol, XLogP of 8.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-dimethyl-(2,3,4,5-tetratert-butylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 91392137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).