1-chloro-1-methylsilocane

C8H17ClSi — CID 69285859

IUPAC1-chloro-1-methylsilocane
SMILESC[Si]1(Cl)CCCCCCC1
InChIInChI=1S/C8H17ClSi/c1-10(9)7-5-3-2-4-6-8-10/h2-8H2,1H3
InChIKeyXFCLWMZTXDBBAH-UHFFFAOYSA-N
MW176.76 g/mol
LogP3.76
Rot. Bonds

About 1-chloro-1-methylsilocane

1-chloro-1-methylsilocane (PubChem CID 69285859) has the molecular formula C8H17ClSi and a molecular weight of 176.76 g/mol. Its IUPAC name is 1-chloro-1-methylsilocane.

Molecular Properties

Compound Name1-chloro-1-methylsilocane
PubChem CID69285859
Molecular FormulaC8H17ClSi
Molecular Weight176.76 g/mol
Exact Mass176.08
IUPAC Name1-chloro-1-methylsilocane
SMILESC[Si]1(Cl)CCCCCCC1
InChIInChI=1S/C8H17ClSi/c1-10(9)7-5-3-2-4-6-8-10/h2-8H2,1H3
InChIKeyXFCLWMZTXDBBAH-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.76
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-chloro-1-methylsilocane 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

1,1,8,8-tetramethyl-1,8-disilacyclotetradecane
CID 177413493
1,1-dimethylsilepane
CID 21335072
1,12-dimethyl-1,12-disilabicyclo[10.10.10]dotriacontane
CID 177476955
1-(chloromethyl)-1-methylsilinane
CID 14984318
(1R,3S)-1-chloro-1,3-dimethylsilinane
CID 91719393
2,2,9,9,11,11,18,18-octamethyl-1,10-dioxa-2,9,11,18-tetrasilacyclooctadecane
CID 18622259
1,6-dimethyl-1,6-disilabicyclo[4.4.4]tetradecane
CID 101130217
1,6-dichloro-1,6-disilabicyclo[4.4.4]tetradecane
CID 101125348
hydron;1-hydroxy-1-methylsilinane
CID 174410091
(1S,2S)-1-chloro-1,2-dimethylsilinane
CID 91704031
1-methyl-1-propan-2-ylsilinane;palladium
CID 174922951
1-ethyl-1-methylsilinane;hydron
CID 174791103

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-methylsilocane?
The IUPAC name of 1-chloro-1-methylsilocane (CID 69285859) is 1-chloro-1-methylsilocane.
What is the SMILES notation for 1-chloro-1-methylsilocane?
The canonical SMILES for 1-chloro-1-methylsilocane is C[Si]1(Cl)CCCCCCC1.
What is the InChIKey of 1-chloro-1-methylsilocane?
The InChIKey is XFCLWMZTXDBBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClSi/c1-10(9)7-5-3-2-4-6-8-10/h2-8H2,1H3.
What are the key properties of 1-chloro-1-methylsilocane?
1-chloro-1-methylsilocane has a molecular weight of 176.76 g/mol, XLogP of 3.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-methylsilocane is sourced from PubChem (CID 69285859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).