1-(chloromethyl)-1-(2-ethylcyclohexyl)oxysilinane

C14H27ClOSi — CID 614405

IUPAC1-(chloromethyl)-1-(2-ethylcyclohexyl)oxysilinane
SMILESCCC1CCCCC1O[Si]1(CCl)CCCCC1
InChIInChI=1S/C14H27ClOSi/c1-2-13-8-4-5-9-14(13)16-17(12-15)10-6-3-7-11-17/h13-14H,2-12H2,1H3
InChIKeyWVJXSHFONWGCMK-UHFFFAOYSA-N
MW274.91 g/mol
LogP4.88
Rot. Bonds4

About 1-(chloromethyl)-1-(2-ethylcyclohexyl)oxysilinane

1-(chloromethyl)-1-(2-ethylcyclohexyl)oxysilinane (PubChem CID 614405) has the molecular formula C14H27ClOSi and a molecular weight of 274.91 g/mol. Its IUPAC name is 1-(chloromethyl)-1-(2-ethylcyclohexyl)oxysilinane.

Molecular Properties

Compound Name1-(chloromethyl)-1-(2-ethylcyclohexyl)oxysilinane
PubChem CID614405
Molecular FormulaC14H27ClOSi
Molecular Weight274.91 g/mol
Exact Mass274.15
IUPAC Name1-(chloromethyl)-1-(2-ethylcyclohexyl)oxysilinane
SMILESCCC1CCCCC1O[Si]1(CCl)CCCCC1
InChIInChI=1S/C14H27ClOSi/c1-2-13-8-4-5-9-14(13)16-17(12-15)10-6-3-7-11-17/h13-14H,2-12H2,1H3
InChIKeyWVJXSHFONWGCMK-UHFFFAOYSA-N
XLogP4.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.91
LogP ≤ 54.88
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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Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-1-(2-ethylcyclohexyl)oxysilinane?
The IUPAC name of 1-(chloromethyl)-1-(2-ethylcyclohexyl)oxysilinane (CID 614405) is 1-(chloromethyl)-1-(2-ethylcyclohexyl)oxysilinane.
What is the SMILES notation for 1-(chloromethyl)-1-(2-ethylcyclohexyl)oxysilinane?
The canonical SMILES for 1-(chloromethyl)-1-(2-ethylcyclohexyl)oxysilinane is CCC1CCCCC1O[Si]1(CCl)CCCCC1.
What is the InChIKey of 1-(chloromethyl)-1-(2-ethylcyclohexyl)oxysilinane?
The InChIKey is WVJXSHFONWGCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27ClOSi/c1-2-13-8-4-5-9-14(13)16-17(12-15)10-6-3-7-11-17/h13-14H,2-12H2,1H3.
What are the key properties of 1-(chloromethyl)-1-(2-ethylcyclohexyl)oxysilinane?
1-(chloromethyl)-1-(2-ethylcyclohexyl)oxysilinane has a molecular weight of 274.91 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-1-(2-ethylcyclohexyl)oxysilinane is sourced from PubChem (CID 614405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).