1-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxysilinane

C14H27ClOSi — CID 614404

IUPAC1-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxysilinane
SMILESCC1CC(C)CC(O[Si]2(CCl)CCCCC2)C1
InChIInChI=1S/C14H27ClOSi/c1-12-8-13(2)10-14(9-12)16-17(11-15)6-4-3-5-7-17/h12-14H,3-11H2,1-2H3
InChIKeyKPUNBEVQUMRDTO-UHFFFAOYSA-N
MW274.91 g/mol
LogP4.74
Rot. Bonds3

About 1-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxysilinane

1-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxysilinane (PubChem CID 614404) has the molecular formula C14H27ClOSi and a molecular weight of 274.91 g/mol. Its IUPAC name is 1-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxysilinane.

Molecular Properties

Compound Name1-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxysilinane
PubChem CID614404
Molecular FormulaC14H27ClOSi
Molecular Weight274.91 g/mol
Exact Mass274.15
IUPAC Name1-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxysilinane
SMILESCC1CC(C)CC(O[Si]2(CCl)CCCCC2)C1
InChIInChI=1S/C14H27ClOSi/c1-12-8-13(2)10-14(9-12)16-17(11-15)6-4-3-5-7-17/h12-14H,3-11H2,1-2H3
InChIKeyKPUNBEVQUMRDTO-UHFFFAOYSA-N
XLogP4.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.91
LogP ≤ 54.74
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'}

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Related Compounds

1-Trimethylsilyloxy-3,5-dimethylcyclohexane
CID 588579
1-Methyl-1-(3,5-dimethylcyclohexyl)oxy-1-silacyclobutane
CID 554518
3,5-Dimethyl-1-dimethyl(3-chloropropyl)silyloxycyclohexane
CID 554584
3,5-Dimethyl-1-dimethyl(dichloromethyl)silyloxycyclohexane
CID 554795
3,5-Dimethyl-1-(dimethyl(chloromethyl)silyloxy)cyclohexane
CID 554802
3,5-Dimethyl-1-tripropylsilyloxycyclohexane
CID 560763
1-Ethyl-1-(3,5-dimethylcyclohexyloxy)-1-silacyclopentane
CID 568285
1-Ethyl-1-(3,5-dimethylcyclohexyloxy)-1-silacyclohexane
CID 575611
1-(3,5-Dimethylcyclohexyl)oxy-1-methylsilolane
CID 598016
1-Chloromethyl-1-(2-ethylcyclohexyloxy)-1-silacyclohexane
CID 614405
1-Methyl-1-(3,5-dimethylcyclohexyloxy)-1-silacyclohexane
CID 614465
3,5-Dimethyl-1-tributylsilyloxycyclohexane
CID 622800

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxysilinane?
The IUPAC name of 1-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxysilinane (CID 614404) is 1-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxysilinane.
What is the SMILES notation for 1-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxysilinane?
The canonical SMILES for 1-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxysilinane is CC1CC(C)CC(O[Si]2(CCl)CCCCC2)C1.
What is the InChIKey of 1-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxysilinane?
The InChIKey is KPUNBEVQUMRDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27ClOSi/c1-12-8-13(2)10-14(9-12)16-17(11-15)6-4-3-5-7-17/h12-14H,3-11H2,1-2H3.
What are the key properties of 1-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxysilinane?
1-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxysilinane has a molecular weight of 274.91 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxysilinane is sourced from PubChem (CID 614404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).