tert-butyl-dimethyl-[4-(1-morpholin-4-ylcyclohexyl)but-3-ynoxy]silane

C20H37NO2Si — CID 132563146

IUPACtert-butyl-dimethyl-[4-(1-morpholin-4-ylcyclohexyl)but-3-ynoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCC#CC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C20H37NO2Si/c1-19(2,3)24(4,5)23-16-10-9-13-20(11-7-6-8-12-20)21-14-17-22-18-15-21/h6-8,10-12,14-18H2,1-5H3
InChIKeyXCFPNVCBKOPCGG-UHFFFAOYSA-N
MW351.61 g/mol
LogP4.44
Rot. Bonds4

About tert-butyl-dimethyl-[4-(1-morpholin-4-ylcyclohexyl)but-3-ynoxy]silane

tert-butyl-dimethyl-[4-(1-morpholin-4-ylcyclohexyl)but-3-ynoxy]silane (PubChem CID 132563146) has the molecular formula C20H37NO2Si and a molecular weight of 351.61 g/mol. Its IUPAC name is tert-butyl-dimethyl-[4-(1-morpholin-4-ylcyclohexyl)but-3-ynoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[4-(1-morpholin-4-ylcyclohexyl)but-3-ynoxy]silane
PubChem CID132563146
Molecular FormulaC20H37NO2Si
Molecular Weight351.61 g/mol
Exact Mass351.26
IUPAC Nametert-butyl-dimethyl-[4-(1-morpholin-4-ylcyclohexyl)but-3-ynoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCC#CC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C20H37NO2Si/c1-19(2,3)24(4,5)23-16-10-9-13-20(11-7-6-8-12-20)21-14-17-22-18-15-21/h6-8,10-12,14-18H2,1-5H3
InChIKeyXCFPNVCBKOPCGG-UHFFFAOYSA-N
XLogP4.44
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.61
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl-dimethyl-[2-(1-morpholin-4-ylcyclohexyl)ethynyl]silane
CID 71479653
4-(1-Hex-1-ynylcyclohexyl)morpholine
CID 135042994
4-(1-Oct-1-ynylcyclohexyl)morpholine
CID 132563144

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[4-(1-morpholin-4-ylcyclohexyl)but-3-ynoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[4-(1-morpholin-4-ylcyclohexyl)but-3-ynoxy]silane (CID 132563146) is tert-butyl-dimethyl-[4-(1-morpholin-4-ylcyclohexyl)but-3-ynoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[4-(1-morpholin-4-ylcyclohexyl)but-3-ynoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[4-(1-morpholin-4-ylcyclohexyl)but-3-ynoxy]silane is CC(C)(C)[Si](C)(C)OCCC#CC1(N2CCOCC2)CCCCC1.
What is the InChIKey of tert-butyl-dimethyl-[4-(1-morpholin-4-ylcyclohexyl)but-3-ynoxy]silane?
The InChIKey is XCFPNVCBKOPCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO2Si/c1-19(2,3)24(4,5)23-16-10-9-13-20(11-7-6-8-12-20)21-14-17-22-18-15-21/h6-8,10-12,14-18H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[4-(1-morpholin-4-ylcyclohexyl)but-3-ynoxy]silane?
tert-butyl-dimethyl-[4-(1-morpholin-4-ylcyclohexyl)but-3-ynoxy]silane has a molecular weight of 351.61 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[4-(1-morpholin-4-ylcyclohexyl)but-3-ynoxy]silane is sourced from PubChem (CID 132563146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).