chloro-decoxy-diethylsilane

C14H31ClOSi — CID 91698401

IUPACchloro-decoxy-diethylsilane
SMILESCCCCCCCCCCO[Si](Cl)(CC)CC
InChIInChI=1S/C14H31ClOSi/c1-4-7-8-9-10-11-12-13-14-16-17(15,5-2)6-3/h4-14H2,1-3H3
InChIKeyXZPZQVSDKANIRF-UHFFFAOYSA-N
MW278.94 g/mol
LogP5.86
Rot. Bonds12

About chloro-decoxy-diethylsilane

chloro-decoxy-diethylsilane (PubChem CID 91698401) has the molecular formula C14H31ClOSi and a molecular weight of 278.94 g/mol. Its IUPAC name is chloro-decoxy-diethylsilane.

Molecular Properties

Compound Namechloro-decoxy-diethylsilane
PubChem CID91698401
Molecular FormulaC14H31ClOSi
Molecular Weight278.94 g/mol
Exact Mass278.18
IUPAC Namechloro-decoxy-diethylsilane
SMILESCCCCCCCCCCO[Si](Cl)(CC)CC
InChIInChI=1S/C14H31ClOSi/c1-4-7-8-9-10-11-12-13-14-16-17(15,5-2)6-3/h4-14H2,1-3H3
InChIKeyXZPZQVSDKANIRF-UHFFFAOYSA-N
XLogP5.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.94
LogP ≤ 55.86
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'}

Analyze chloro-decoxy-diethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of chloro-decoxy-diethylsilane?
The IUPAC name of chloro-decoxy-diethylsilane (CID 91698401) is chloro-decoxy-diethylsilane.
What is the SMILES notation for chloro-decoxy-diethylsilane?
The canonical SMILES for chloro-decoxy-diethylsilane is CCCCCCCCCCO[Si](Cl)(CC)CC.
What is the InChIKey of chloro-decoxy-diethylsilane?
The InChIKey is XZPZQVSDKANIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31ClOSi/c1-4-7-8-9-10-11-12-13-14-16-17(15,5-2)6-3/h4-14H2,1-3H3.
What are the key properties of chloro-decoxy-diethylsilane?
chloro-decoxy-diethylsilane has a molecular weight of 278.94 g/mol, XLogP of 5.86, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-decoxy-diethylsilane is sourced from PubChem (CID 91698401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).