dichloromethyl-dimethyl-pentoxysilane

C8H18Cl2OSi — CID 554701

IUPACdichloromethyl-dimethyl-pentoxysilane
SMILESCCCCCO[Si](C)(C)C(Cl)Cl
InChIInChI=1S/C8H18Cl2OSi/c1-4-5-6-7-11-12(2,3)8(9)10/h8H,4-7H2,1-3H3
InChIKeyYQRKTCCAOICZLJ-UHFFFAOYSA-N
MW229.22 g/mol
LogP3.74
Rot. Bonds6

About dichloromethyl-dimethyl-pentoxysilane

dichloromethyl-dimethyl-pentoxysilane (PubChem CID 554701) has the molecular formula C8H18Cl2OSi and a molecular weight of 229.22 g/mol. Its IUPAC name is dichloromethyl-dimethyl-pentoxysilane.

Molecular Properties

Compound Namedichloromethyl-dimethyl-pentoxysilane
PubChem CID554701
Molecular FormulaC8H18Cl2OSi
Molecular Weight229.22 g/mol
Exact Mass228.05
IUPAC Namedichloromethyl-dimethyl-pentoxysilane
SMILESCCCCCO[Si](C)(C)C(Cl)Cl
InChIInChI=1S/C8H18Cl2OSi/c1-4-5-6-7-11-12(2,3)8(9)10/h8H,4-7H2,1-3H3
InChIKeyYQRKTCCAOICZLJ-UHFFFAOYSA-N
XLogP3.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.22
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 dichloromethyl-dimethyl-pentoxysilane?
The IUPAC name of dichloromethyl-dimethyl-pentoxysilane (CID 554701) is dichloromethyl-dimethyl-pentoxysilane.
What is the SMILES notation for dichloromethyl-dimethyl-pentoxysilane?
The canonical SMILES for dichloromethyl-dimethyl-pentoxysilane is CCCCCO[Si](C)(C)C(Cl)Cl.
What is the InChIKey of dichloromethyl-dimethyl-pentoxysilane?
The InChIKey is YQRKTCCAOICZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18Cl2OSi/c1-4-5-6-7-11-12(2,3)8(9)10/h8H,4-7H2,1-3H3.
What are the key properties of dichloromethyl-dimethyl-pentoxysilane?
dichloromethyl-dimethyl-pentoxysilane has a molecular weight of 229.22 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethyl-dimethyl-pentoxysilane is sourced from PubChem (CID 554701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).