dibutoxy-(chloromethyl)-methoxysilane

C10H23ClO3Si — CID 18941458

IUPACdibutoxy-(chloromethyl)-methoxysilane
SMILESCCCCO[Si](CCl)(OC)OCCCC
InChIInChI=1S/C10H23ClO3Si/c1-4-6-8-13-15(10-11,12-3)14-9-7-5-2/h4-10H2,1-3H3
InChIKeyMLOQVCSQRLBSIO-UHFFFAOYSA-N
MW254.83 g/mol
LogP2.98
Rot. Bonds10

About dibutoxy-(chloromethyl)-methoxysilane

dibutoxy-(chloromethyl)-methoxysilane (PubChem CID 18941458) has the molecular formula C10H23ClO3Si and a molecular weight of 254.83 g/mol. Its IUPAC name is dibutoxy-(chloromethyl)-methoxysilane.

Molecular Properties

Compound Namedibutoxy-(chloromethyl)-methoxysilane
PubChem CID18941458
Molecular FormulaC10H23ClO3Si
Molecular Weight254.83 g/mol
Exact Mass254.11
IUPAC Namedibutoxy-(chloromethyl)-methoxysilane
SMILESCCCCO[Si](CCl)(OC)OCCCC
InChIInChI=1S/C10H23ClO3Si/c1-4-6-8-13-15(10-11,12-3)14-9-7-5-2/h4-10H2,1-3H3
InChIKeyMLOQVCSQRLBSIO-UHFFFAOYSA-N
XLogP2.98
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.83
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dibutoxy-(chloromethyl)-methoxysilane?
The IUPAC name of dibutoxy-(chloromethyl)-methoxysilane (CID 18941458) is dibutoxy-(chloromethyl)-methoxysilane.
What is the SMILES notation for dibutoxy-(chloromethyl)-methoxysilane?
The canonical SMILES for dibutoxy-(chloromethyl)-methoxysilane is CCCCO[Si](CCl)(OC)OCCCC.
What is the InChIKey of dibutoxy-(chloromethyl)-methoxysilane?
The InChIKey is MLOQVCSQRLBSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23ClO3Si/c1-4-6-8-13-15(10-11,12-3)14-9-7-5-2/h4-10H2,1-3H3.
What are the key properties of dibutoxy-(chloromethyl)-methoxysilane?
dibutoxy-(chloromethyl)-methoxysilane has a molecular weight of 254.83 g/mol, XLogP of 2.98, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibutoxy-(chloromethyl)-methoxysilane is sourced from PubChem (CID 18941458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).