(1-chloro-2-methylbut-1-enyl)-trimethylsilane

C8H17ClSi — CID 71336854

IUPAC(1-chloro-2-methylbut-1-enyl)-trimethylsilane
SMILESCCC(C)=C(Cl)[Si](C)(C)C
InChIInChI=1S/C8H17ClSi/c1-6-7(2)8(9)10(3,4)5/h6H2,1-5H3
InChIKeyJDEQXSDKWBXPOK-UHFFFAOYSA-N
MW176.76 g/mol
LogP3.79
Rot. Bonds2

About (1-chloro-2-methylbut-1-enyl)-trimethylsilane

(1-chloro-2-methylbut-1-enyl)-trimethylsilane (PubChem CID 71336854) has the molecular formula C8H17ClSi and a molecular weight of 176.76 g/mol. Its IUPAC name is (1-chloro-2-methylbut-1-enyl)-trimethylsilane.

Molecular Properties

Compound Name(1-chloro-2-methylbut-1-enyl)-trimethylsilane
PubChem CID71336854
Molecular FormulaC8H17ClSi
Molecular Weight176.76 g/mol
Exact Mass176.08
IUPAC Name(1-chloro-2-methylbut-1-enyl)-trimethylsilane
SMILESCCC(C)=C(Cl)[Si](C)(C)C
InChIInChI=1S/C8H17ClSi/c1-6-7(2)8(9)10(3,4)5/h6H2,1-5H3
InChIKeyJDEQXSDKWBXPOK-UHFFFAOYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.76
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-chloro-2-methylbut-1-enyl)-trimethylsilane?
The IUPAC name of (1-chloro-2-methylbut-1-enyl)-trimethylsilane (CID 71336854) is (1-chloro-2-methylbut-1-enyl)-trimethylsilane.
What is the SMILES notation for (1-chloro-2-methylbut-1-enyl)-trimethylsilane?
The canonical SMILES for (1-chloro-2-methylbut-1-enyl)-trimethylsilane is CCC(C)=C(Cl)[Si](C)(C)C.
What is the InChIKey of (1-chloro-2-methylbut-1-enyl)-trimethylsilane?
The InChIKey is JDEQXSDKWBXPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClSi/c1-6-7(2)8(9)10(3,4)5/h6H2,1-5H3.
What are the key properties of (1-chloro-2-methylbut-1-enyl)-trimethylsilane?
(1-chloro-2-methylbut-1-enyl)-trimethylsilane has a molecular weight of 176.76 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloro-2-methylbut-1-enyl)-trimethylsilane is sourced from PubChem (CID 71336854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).