dichloro-heptyl-phenylsilane

C13H20Cl2Si — CID 101161411

IUPACdichloro-heptyl-phenylsilane
SMILESCCCCCCC[Si](Cl)(Cl)c1ccccc1
InChIInChI=1S/C13H20Cl2Si/c1-2-3-4-5-9-12-16(14,15)13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3
InChIKeyNAPUIWXCWYCBGL-UHFFFAOYSA-N
MW275.29 g/mol
LogP4.78
Rot. Bonds7

About dichloro-heptyl-phenylsilane

dichloro-heptyl-phenylsilane (PubChem CID 101161411) has the molecular formula C13H20Cl2Si and a molecular weight of 275.29 g/mol. Its IUPAC name is dichloro-heptyl-phenylsilane.

Molecular Properties

Compound Namedichloro-heptyl-phenylsilane
PubChem CID101161411
Molecular FormulaC13H20Cl2Si
Molecular Weight275.29 g/mol
Exact Mass274.07
IUPAC Namedichloro-heptyl-phenylsilane
SMILESCCCCCCC[Si](Cl)(Cl)c1ccccc1
InChIInChI=1S/C13H20Cl2Si/c1-2-3-4-5-9-12-16(14,15)13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3
InChIKeyNAPUIWXCWYCBGL-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 dichloro-heptyl-phenylsilane 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

chloro-methyl-octyl-phenylsilane
CID 66989770
chloro-hexyl-iodo-phenylsilane
CID 154486835
icosyl-dimethyl-phenylsilane
CID 91054385
heptadecyl(triphenyl)silane
CID 4520075
[dihexyl(phenyl)silyl]-dihexyl-phenylsilane
CID 12059876
decyl-methyl-diphenylsilane
CID 15259590
dihexyl-methyl-phenylsilane
CID 71342172
(4-butoxyphenyl)-dichloro-hexylsilane
CID 139899604
iodo-methyl-octyl-phenylsilane
CID 154486879
dichloro-(4-ethoxyphenyl)-hexylsilane
CID 139899605
dichloro(diphenyl)silane;octadecan-1-amine
CID 157092949
3-[dichloro(phenyl)silyl]propane-1-thiol
CID 139647471

Frequently Asked Questions

What is the IUPAC name of dichloro-heptyl-phenylsilane?
The IUPAC name of dichloro-heptyl-phenylsilane (CID 101161411) is dichloro-heptyl-phenylsilane.
What is the SMILES notation for dichloro-heptyl-phenylsilane?
The canonical SMILES for dichloro-heptyl-phenylsilane is CCCCCCC[Si](Cl)(Cl)c1ccccc1.
What is the InChIKey of dichloro-heptyl-phenylsilane?
The InChIKey is NAPUIWXCWYCBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2Si/c1-2-3-4-5-9-12-16(14,15)13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3.
What are the key properties of dichloro-heptyl-phenylsilane?
dichloro-heptyl-phenylsilane has a molecular weight of 275.29 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-heptyl-phenylsilane is sourced from PubChem (CID 101161411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).