butan-2-yloxymethyl(dichloro)silane

C5H12Cl2OSi — CID 150298920

IUPACbutan-2-yloxymethyl(dichloro)silane
SMILESCCC(C)OC[SiH](Cl)Cl
InChIInChI=1S/C5H12Cl2OSi/c1-3-5(2)8-4-9(6)7/h5,9H,3-4H2,1-2H3
InChIKeyGJEJXYSBSQXVAU-UHFFFAOYSA-N
MW187.14 g/mol
LogP2.04
Rot. Bonds4

About butan-2-yloxymethyl(dichloro)silane

butan-2-yloxymethyl(dichloro)silane (PubChem CID 150298920) has the molecular formula C5H12Cl2OSi and a molecular weight of 187.14 g/mol. Its IUPAC name is butan-2-yloxymethyl(dichloro)silane.

Molecular Properties

Compound Namebutan-2-yloxymethyl(dichloro)silane
PubChem CID150298920
Molecular FormulaC5H12Cl2OSi
Molecular Weight187.14 g/mol
Exact Mass186.00
IUPAC Namebutan-2-yloxymethyl(dichloro)silane
SMILESCCC(C)OC[SiH](Cl)Cl
InChIInChI=1S/C5H12Cl2OSi/c1-3-5(2)8-4-9(6)7/h5,9H,3-4H2,1-2H3
InChIKeyGJEJXYSBSQXVAU-UHFFFAOYSA-N
XLogP2.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.14
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-yloxymethyl(dichloro)silane?
The IUPAC name of butan-2-yloxymethyl(dichloro)silane (CID 150298920) is butan-2-yloxymethyl(dichloro)silane.
What is the SMILES notation for butan-2-yloxymethyl(dichloro)silane?
The canonical SMILES for butan-2-yloxymethyl(dichloro)silane is CCC(C)OC[SiH](Cl)Cl.
What is the InChIKey of butan-2-yloxymethyl(dichloro)silane?
The InChIKey is GJEJXYSBSQXVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12Cl2OSi/c1-3-5(2)8-4-9(6)7/h5,9H,3-4H2,1-2H3.
What are the key properties of butan-2-yloxymethyl(dichloro)silane?
butan-2-yloxymethyl(dichloro)silane has a molecular weight of 187.14 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yloxymethyl(dichloro)silane is sourced from PubChem (CID 150298920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).