butoxy-dichloro-methylsilane

C5H12Cl2OSi — CID 12504657

IUPACbutoxy-dichloro-methylsilane
SMILESCCCCO[Si](C)(Cl)Cl
InChIInChI=1S/C5H12Cl2OSi/c1-3-4-5-8-9(2,6)7/h3-5H2,1-2H3
InChIKeySQOBFNPSJIGFGZ-UHFFFAOYSA-N
MW187.14 g/mol
LogP2.85
Rot. Bonds4

About butoxy-dichloro-methylsilane

butoxy-dichloro-methylsilane (PubChem CID 12504657) has the molecular formula C5H12Cl2OSi and a molecular weight of 187.14 g/mol. Its IUPAC name is butoxy-dichloro-methylsilane.

Molecular Properties

Compound Namebutoxy-dichloro-methylsilane
PubChem CID12504657
Molecular FormulaC5H12Cl2OSi
Molecular Weight187.14 g/mol
Exact Mass186.00
IUPAC Namebutoxy-dichloro-methylsilane
SMILESCCCCO[Si](C)(Cl)Cl
InChIInChI=1S/C5H12Cl2OSi/c1-3-4-5-8-9(2,6)7/h3-5H2,1-2H3
InChIKeySQOBFNPSJIGFGZ-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 butoxy-dichloro-methylsilane?
The IUPAC name of butoxy-dichloro-methylsilane (CID 12504657) is butoxy-dichloro-methylsilane.
What is the SMILES notation for butoxy-dichloro-methylsilane?
The canonical SMILES for butoxy-dichloro-methylsilane is CCCCO[Si](C)(Cl)Cl.
What is the InChIKey of butoxy-dichloro-methylsilane?
The InChIKey is SQOBFNPSJIGFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12Cl2OSi/c1-3-4-5-8-9(2,6)7/h3-5H2,1-2H3.
What are the key properties of butoxy-dichloro-methylsilane?
butoxy-dichloro-methylsilane has a molecular weight of 187.14 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-dichloro-methylsilane is sourced from PubChem (CID 12504657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).