chloro-diethyl-pentan-2-yloxysilane

C9H21ClOSi — CID 91724159

IUPACchloro-diethyl-pentan-2-yloxysilane
SMILESCCCC(C)O[Si](Cl)(CC)CC
InChIInChI=1S/C9H21ClOSi/c1-5-8-9(4)11-12(10,6-2)7-3/h9H,5-8H2,1-4H3
InChIKeyVRFAVIFOQPFOOY-UHFFFAOYSA-N
MW208.80 g/mol
LogP3.91
Rot. Bonds6

About chloro-diethyl-pentan-2-yloxysilane

chloro-diethyl-pentan-2-yloxysilane (PubChem CID 91724159) has the molecular formula C9H21ClOSi and a molecular weight of 208.80 g/mol. Its IUPAC name is chloro-diethyl-pentan-2-yloxysilane.

Molecular Properties

Compound Namechloro-diethyl-pentan-2-yloxysilane
PubChem CID91724159
Molecular FormulaC9H21ClOSi
Molecular Weight208.80 g/mol
Exact Mass208.11
IUPAC Namechloro-diethyl-pentan-2-yloxysilane
SMILESCCCC(C)O[Si](Cl)(CC)CC
InChIInChI=1S/C9H21ClOSi/c1-5-8-9(4)11-12(10,6-2)7-3/h9H,5-8H2,1-4H3
InChIKeyVRFAVIFOQPFOOY-UHFFFAOYSA-N
XLogP3.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.80
LogP ≤ 53.91
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'}

Analyze chloro-diethyl-pentan-2-yloxysilane with MolForge

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

Launch Full Analysis

Related Compounds

Isopropoxy(triethyl) silane
CID 262867
Trimethyl(1-methylbutoxy)silane
CID 552847
Dimethyl-di-2-pentoxysilane
CID 85844809
2-Butoxy(triethyl)silane
CID 594352
2-Pentanol, TBDMS derivative
CID 14844070
Silane, diethylethoxy(2-pentyloxy)-
CID 91710728
2-Dimethylsilyloxypentane
CID 6329237
Triethyl(pentan-2-yloxy)silane
CID 101276117
Triethyl(1-ethylpropoxy)silane
CID 12494492
Tri(propan-2-yl)-propan-2-yloxysilane
CID 22280283
Silane, diethyl(2-pentyloxy)propoxy-
CID 91714726
Silane, chlorodiethyl(2-hexyloxy)-
CID 91724160

Frequently Asked Questions

What is the IUPAC name of chloro-diethyl-pentan-2-yloxysilane?
The IUPAC name of chloro-diethyl-pentan-2-yloxysilane (CID 91724159) is chloro-diethyl-pentan-2-yloxysilane.
What is the SMILES notation for chloro-diethyl-pentan-2-yloxysilane?
The canonical SMILES for chloro-diethyl-pentan-2-yloxysilane is CCCC(C)O[Si](Cl)(CC)CC.
What is the InChIKey of chloro-diethyl-pentan-2-yloxysilane?
The InChIKey is VRFAVIFOQPFOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21ClOSi/c1-5-8-9(4)11-12(10,6-2)7-3/h9H,5-8H2,1-4H3.
What are the key properties of chloro-diethyl-pentan-2-yloxysilane?
chloro-diethyl-pentan-2-yloxysilane has a molecular weight of 208.80 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-diethyl-pentan-2-yloxysilane is sourced from PubChem (CID 91724159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).