1-(chloromethyl)-1-cyclohexyloxysilinane

C12H23ClOSi — CID 607456

IUPAC1-(chloromethyl)-1-cyclohexyloxysilinane
SMILESClC[Si]1(OC2CCCCC2)CCCCC1
InChIInChI=1S/C12H23ClOSi/c13-11-15(9-5-2-6-10-15)14-12-7-3-1-4-8-12/h12H,1-11H2
InChIKeyYFPXDQRUIZSJOK-UHFFFAOYSA-N
MW246.85 g/mol
LogP4.24
Rot. Bonds3

About 1-(chloromethyl)-1-cyclohexyloxysilinane

1-(chloromethyl)-1-cyclohexyloxysilinane (PubChem CID 607456) has the molecular formula C12H23ClOSi and a molecular weight of 246.85 g/mol. Its IUPAC name is 1-(chloromethyl)-1-cyclohexyloxysilinane.

Molecular Properties

Compound Name1-(chloromethyl)-1-cyclohexyloxysilinane
PubChem CID607456
Molecular FormulaC12H23ClOSi
Molecular Weight246.85 g/mol
Exact Mass246.12
IUPAC Name1-(chloromethyl)-1-cyclohexyloxysilinane
SMILESClC[Si]1(OC2CCCCC2)CCCCC1
InChIInChI=1S/C12H23ClOSi/c13-11-15(9-5-2-6-10-15)14-12-7-3-1-4-8-12/h12H,1-11H2
InChIKeyYFPXDQRUIZSJOK-UHFFFAOYSA-N
XLogP4.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.85
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(chloromethyl)-1-cyclohexyloxysilinane 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

trichloro cyclohexyl silicate
CID 174839833
N-(2-chloroethyl)cyclooctanamine
CID 18316363
2-cycloheptyloxy-1-cyclopentylethanol
CID 104753667
1-(chloromethyl)-1-methylsilinane
CID 14984318
1,4-bis[(4-cyclohexyloxycyclohexyl)oxy]cyclohexane
CID 140552812
cyclobutyloxycyclohexane
CID 89332762
2-methoxyethoxycyclohexane
CID 20550469
dichloro(cyclododecyloxy)phosphane
CID 54169601
ethoxycyclooctane
CID 13427982
8-cycloheptyloxyoctoxycycloheptane
CID 173292672
cyclooctyloxymethylsilane
CID 157063356
silyloxycyclohexane
CID 19892694

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-1-cyclohexyloxysilinane?
The IUPAC name of 1-(chloromethyl)-1-cyclohexyloxysilinane (CID 607456) is 1-(chloromethyl)-1-cyclohexyloxysilinane.
What is the SMILES notation for 1-(chloromethyl)-1-cyclohexyloxysilinane?
The canonical SMILES for 1-(chloromethyl)-1-cyclohexyloxysilinane is ClC[Si]1(OC2CCCCC2)CCCCC1.
What is the InChIKey of 1-(chloromethyl)-1-cyclohexyloxysilinane?
The InChIKey is YFPXDQRUIZSJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClOSi/c13-11-15(9-5-2-6-10-15)14-12-7-3-1-4-8-12/h12H,1-11H2.
What are the key properties of 1-(chloromethyl)-1-cyclohexyloxysilinane?
1-(chloromethyl)-1-cyclohexyloxysilinane has a molecular weight of 246.85 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-1-cyclohexyloxysilinane is sourced from PubChem (CID 607456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).