butan-2-yl-dichloro-methylsilane

C5H12Cl2Si — CID 24962724

IUPACbutan-2-yl-dichloro-methylsilane
SMILESCCC(C)[Si](C)(Cl)Cl
InChIInChI=1S/C5H12Cl2Si/c1-4-5(2)8(3,6)7/h5H,4H2,1-3H3
InChIKeyWOUJSMCGASUCHH-UHFFFAOYSA-N
MW171.14 g/mol
LogP3.34
Rot. Bonds2

About butan-2-yl-dichloro-methylsilane

butan-2-yl-dichloro-methylsilane (PubChem CID 24962724) has the molecular formula C5H12Cl2Si and a molecular weight of 171.14 g/mol. Its IUPAC name is butan-2-yl-dichloro-methylsilane.

Molecular Properties

Compound Namebutan-2-yl-dichloro-methylsilane
PubChem CID24962724
Molecular FormulaC5H12Cl2Si
Molecular Weight171.14 g/mol
Exact Mass170.01
IUPAC Namebutan-2-yl-dichloro-methylsilane
SMILESCCC(C)[Si](C)(Cl)Cl
InChIInChI=1S/C5H12Cl2Si/c1-4-5(2)8(3,6)7/h5H,4H2,1-3H3
InChIKeyWOUJSMCGASUCHH-UHFFFAOYSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.14
LogP ≤ 53.34
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 butan-2-yl-dichloro-methylsilane?
The IUPAC name of butan-2-yl-dichloro-methylsilane (CID 24962724) is butan-2-yl-dichloro-methylsilane.
What is the SMILES notation for butan-2-yl-dichloro-methylsilane?
The canonical SMILES for butan-2-yl-dichloro-methylsilane is CCC(C)[Si](C)(Cl)Cl.
What is the InChIKey of butan-2-yl-dichloro-methylsilane?
The InChIKey is WOUJSMCGASUCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12Cl2Si/c1-4-5(2)8(3,6)7/h5H,4H2,1-3H3.
What are the key properties of butan-2-yl-dichloro-methylsilane?
butan-2-yl-dichloro-methylsilane has a molecular weight of 171.14 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl-dichloro-methylsilane is sourced from PubChem (CID 24962724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).