(3-tert-butylcyclopenta-2,4-dien-1-yl)-chloro-dimethylsilane

C11H19ClSi — CID 71353501

IUPAC(3-tert-butylcyclopenta-2,4-dien-1-yl)-chloro-dimethylsilane
SMILESCC(C)(C)C1=CC([Si](C)(C)Cl)C=C1
InChIInChI=1S/C11H19ClSi/c1-11(2,3)9-6-7-10(8-9)13(4,5)12/h6-8,10H,1-5H3
InChIKeyVSNRERJBZHZCKQ-UHFFFAOYSA-N
MW214.81 g/mol
LogP4.34
Rot. Bonds1

About (3-tert-butylcyclopenta-2,4-dien-1-yl)-chloro-dimethylsilane

(3-tert-butylcyclopenta-2,4-dien-1-yl)-chloro-dimethylsilane (PubChem CID 71353501) has the molecular formula C11H19ClSi and a molecular weight of 214.81 g/mol. Its IUPAC name is (3-tert-butylcyclopenta-2,4-dien-1-yl)-chloro-dimethylsilane.

Molecular Properties

Compound Name(3-tert-butylcyclopenta-2,4-dien-1-yl)-chloro-dimethylsilane
PubChem CID71353501
Molecular FormulaC11H19ClSi
Molecular Weight214.81 g/mol
Exact Mass214.09
IUPAC Name(3-tert-butylcyclopenta-2,4-dien-1-yl)-chloro-dimethylsilane
SMILESCC(C)(C)C1=CC([Si](C)(C)Cl)C=C1
InChIInChI=1S/C11H19ClSi/c1-11(2,3)9-6-7-10(8-9)13(4,5)12/h6-8,10H,1-5H3
InChIKeyVSNRERJBZHZCKQ-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.81
LogP ≤ 54.34
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 (3-tert-butylcyclopenta-2,4-dien-1-yl)-chloro-dimethylsilane?
The IUPAC name of (3-tert-butylcyclopenta-2,4-dien-1-yl)-chloro-dimethylsilane (CID 71353501) is (3-tert-butylcyclopenta-2,4-dien-1-yl)-chloro-dimethylsilane.
What is the SMILES notation for (3-tert-butylcyclopenta-2,4-dien-1-yl)-chloro-dimethylsilane?
The canonical SMILES for (3-tert-butylcyclopenta-2,4-dien-1-yl)-chloro-dimethylsilane is CC(C)(C)C1=CC([Si](C)(C)Cl)C=C1.
What is the InChIKey of (3-tert-butylcyclopenta-2,4-dien-1-yl)-chloro-dimethylsilane?
The InChIKey is VSNRERJBZHZCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClSi/c1-11(2,3)9-6-7-10(8-9)13(4,5)12/h6-8,10H,1-5H3.
What are the key properties of (3-tert-butylcyclopenta-2,4-dien-1-yl)-chloro-dimethylsilane?
(3-tert-butylcyclopenta-2,4-dien-1-yl)-chloro-dimethylsilane has a molecular weight of 214.81 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butylcyclopenta-2,4-dien-1-yl)-chloro-dimethylsilane is sourced from PubChem (CID 71353501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).