tert-butyl-[(4-octoxycyclohexyl)methoxy]-diphenylsilane

C31H48O2Si — CID 163204350

IUPACtert-butyl-[(4-octoxycyclohexyl)methoxy]-diphenylsilane
SMILESCCCCCCCCOC1CCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C31H48O2Si/c1-5-6-7-8-9-16-25-32-28-23-21-27(22-24-28)26-33-34(31(2,3)4,29-17-12-10-13-18-29)30-19-14-11-15-20-30/h10-15,17-20,27-28H,5-9,16,21-26H2,1-4H3
InChIKeyDZRUEGJESNBYPE-UHFFFAOYSA-N
MW480.81 g/mol
LogP7.50
Rot. Bonds13

About tert-butyl-[(4-octoxycyclohexyl)methoxy]-diphenylsilane

tert-butyl-[(4-octoxycyclohexyl)methoxy]-diphenylsilane (PubChem CID 163204350) has the molecular formula C31H48O2Si and a molecular weight of 480.81 g/mol. Its IUPAC name is tert-butyl-[(4-octoxycyclohexyl)methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(4-octoxycyclohexyl)methoxy]-diphenylsilane
PubChem CID163204350
Molecular FormulaC31H48O2Si
Molecular Weight480.81 g/mol
Exact Mass480.34
IUPAC Nametert-butyl-[(4-octoxycyclohexyl)methoxy]-diphenylsilane
SMILESCCCCCCCCOC1CCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C31H48O2Si/c1-5-6-7-8-9-16-25-32-28-23-21-27(22-24-28)26-33-34(31(2,3)4,29-17-12-10-13-18-29)30-19-14-11-15-20-30/h10-15,17-20,27-28H,5-9,16,21-26H2,1-4H3
InChIKeyDZRUEGJESNBYPE-UHFFFAOYSA-N
XLogP7.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.81
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
tert-butyl-[(E)-heptadec-4-enoxy]-diphenylsilane
CID 11123858
tert-butyl-[(4-ethenylcyclohexyl)methoxy]-diphenylsilane
CID 156858499
tert-butyl-diphenyl-tetradec-8-ynoxysilane
CID 90132306
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-docosoxypropan-2-ol
CID 171529712
tert-butyl-heptatriaconta-23,26-dienoxy-diphenylsilane
CID 69009078
tert-butyl-[(4-cyclohexylidenecyclohexyl)methoxy]-diphenylsilane
CID 175936274
[4-(4-decylcyclohexyl)cyclohexyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoate
CID 140827420
butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 175819406
tert-butyl-diphenyl-[[(2S,3R)-3-[[(2S,3R)-3-undecyloxiran-2-yl]methyl]oxiran-2-yl]methoxy]silane
CID 11145784
tert-butyl-[(E)-dec-5-enoxy]-diphenylsilane
CID 11188599
trans-(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 129409597

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4-octoxycyclohexyl)methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(4-octoxycyclohexyl)methoxy]-diphenylsilane (CID 163204350) is tert-butyl-[(4-octoxycyclohexyl)methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(4-octoxycyclohexyl)methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(4-octoxycyclohexyl)methoxy]-diphenylsilane is CCCCCCCCOC1CCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl-[(4-octoxycyclohexyl)methoxy]-diphenylsilane?
The InChIKey is DZRUEGJESNBYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H48O2Si/c1-5-6-7-8-9-16-25-32-28-23-21-27(22-24-28)26-33-34(31(2,3)4,29-17-12-10-13-18-29)30-19-14-11-15-20-30/h10-15,17-20,27-28H,5-9,16,21-26H2,1-4H3.
What are the key properties of tert-butyl-[(4-octoxycyclohexyl)methoxy]-diphenylsilane?
tert-butyl-[(4-octoxycyclohexyl)methoxy]-diphenylsilane has a molecular weight of 480.81 g/mol, XLogP of 7.50, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4-octoxycyclohexyl)methoxy]-diphenylsilane is sourced from PubChem (CID 163204350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).