1-(1-cyclohexyl-3-methylbutoxy)ethoxysilane

C13H28O2Si — CID 173229239

IUPAC1-(1-cyclohexyl-3-methylbutoxy)ethoxysilane
SMILESCC(C)CC(OC(C)O[SiH3])C1CCCCC1
InChIInChI=1S/C13H28O2Si/c1-10(2)9-13(14-11(3)15-16)12-7-5-4-6-8-12/h10-13H,4-9H2,1-3,16H3
InChIKeyMEOCBCHFFPVTGB-UHFFFAOYSA-N
MW244.45 g/mol
LogP2.64
Rot. Bonds6

About 1-(1-cyclohexyl-3-methylbutoxy)ethoxysilane

1-(1-cyclohexyl-3-methylbutoxy)ethoxysilane (PubChem CID 173229239) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is 1-(1-cyclohexyl-3-methylbutoxy)ethoxysilane.

Molecular Properties

Compound Name1-(1-cyclohexyl-3-methylbutoxy)ethoxysilane
PubChem CID173229239
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name1-(1-cyclohexyl-3-methylbutoxy)ethoxysilane
SMILESCC(C)CC(OC(C)O[SiH3])C1CCCCC1
InChIInChI=1S/C13H28O2Si/c1-10(2)9-13(14-11(3)15-16)12-7-5-4-6-8-12/h10-13H,4-9H2,1-3,16H3
InChIKeyMEOCBCHFFPVTGB-UHFFFAOYSA-N
XLogP2.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyl-3-methylbutoxy)ethoxysilane?
The IUPAC name of 1-(1-cyclohexyl-3-methylbutoxy)ethoxysilane (CID 173229239) is 1-(1-cyclohexyl-3-methylbutoxy)ethoxysilane.
What is the SMILES notation for 1-(1-cyclohexyl-3-methylbutoxy)ethoxysilane?
The canonical SMILES for 1-(1-cyclohexyl-3-methylbutoxy)ethoxysilane is CC(C)CC(OC(C)O[SiH3])C1CCCCC1.
What is the InChIKey of 1-(1-cyclohexyl-3-methylbutoxy)ethoxysilane?
The InChIKey is MEOCBCHFFPVTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-10(2)9-13(14-11(3)15-16)12-7-5-4-6-8-12/h10-13H,4-9H2,1-3,16H3.
What are the key properties of 1-(1-cyclohexyl-3-methylbutoxy)ethoxysilane?
1-(1-cyclohexyl-3-methylbutoxy)ethoxysilane has a molecular weight of 244.45 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyl-3-methylbutoxy)ethoxysilane is sourced from PubChem (CID 173229239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).