(2-bromo-1,1-dicyclohexylethoxy)silane

C14H27BrOSi — CID 123366648

IUPAC(2-bromo-1,1-dicyclohexylethoxy)silane
SMILES[SiH3]OC(CBr)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C14H27BrOSi/c15-11-14(16-17,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h12-13H,1-11H2,17H3
InChIKeyXIYRAGMDSXRZDY-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.58
Rot. Bonds4

About (2-bromo-1,1-dicyclohexylethoxy)silane

(2-bromo-1,1-dicyclohexylethoxy)silane (PubChem CID 123366648) has the molecular formula C14H27BrOSi and a molecular weight of 319.36 g/mol. Its IUPAC name is (2-bromo-1,1-dicyclohexylethoxy)silane.

Molecular Properties

Compound Name(2-bromo-1,1-dicyclohexylethoxy)silane
PubChem CID123366648
Molecular FormulaC14H27BrOSi
Molecular Weight319.36 g/mol
Exact Mass318.10
IUPAC Name(2-bromo-1,1-dicyclohexylethoxy)silane
SMILES[SiH3]OC(CBr)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C14H27BrOSi/c15-11-14(16-17,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h12-13H,1-11H2,17H3
InChIKeyXIYRAGMDSXRZDY-UHFFFAOYSA-N
XLogP3.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.58
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

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[1-bromo-2-(bromomethyl)heptan-2-yl]cyclopentane
CID 112571210
tricyclohexylmethylsilane
CID 71348621
(3-bromo-2-cyclopropyl-2-methylpropyl)cyclohexane
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2-(2-cyclohexyloctan-2-yloxy)octan-2-ylcyclohexane
CID 139747776
tert-butylcyclobutane;tert-butylcyclohexane;ethane
CID 167597631
1,1-dicyclopentyl-N-methyl-1-silyloxymethanamine
CID 173086225
2-cyclohexylpropan-2-ylcyclohexane;ethane;methanethiol
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1,1-di(cyclododecyl)propylcyclododecane
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2,2,2-tricyclohexylethanamine
CID 57066061

Frequently Asked Questions

What is the IUPAC name of (2-bromo-1,1-dicyclohexylethoxy)silane?
The IUPAC name of (2-bromo-1,1-dicyclohexylethoxy)silane (CID 123366648) is (2-bromo-1,1-dicyclohexylethoxy)silane.
What is the SMILES notation for (2-bromo-1,1-dicyclohexylethoxy)silane?
The canonical SMILES for (2-bromo-1,1-dicyclohexylethoxy)silane is [SiH3]OC(CBr)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of (2-bromo-1,1-dicyclohexylethoxy)silane?
The InChIKey is XIYRAGMDSXRZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27BrOSi/c15-11-14(16-17,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h12-13H,1-11H2,17H3.
What are the key properties of (2-bromo-1,1-dicyclohexylethoxy)silane?
(2-bromo-1,1-dicyclohexylethoxy)silane has a molecular weight of 319.36 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-1,1-dicyclohexylethoxy)silane is sourced from PubChem (CID 123366648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).