tert-butyl-dimethyl-[[3-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexyl]methoxy]silane

C21H38O3Si — CID 57050105

IUPACtert-butyl-dimethyl-[[3-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexyl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCC1CCCC(C#CCOC2CCCCO2)C1
InChIInChI=1S/C21H38O3Si/c1-21(2,3)25(4,5)24-17-19-11-8-10-18(16-19)12-9-15-23-20-13-6-7-14-22-20/h18-20H,6-8,10-11,13-17H2,1-5H3
InChIKeyLLQSIUULIZHNQF-UHFFFAOYSA-N
MW366.62 g/mol
LogP5.36
Rot. Bonds5

About tert-butyl-dimethyl-[[3-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexyl]methoxy]silane

tert-butyl-dimethyl-[[3-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexyl]methoxy]silane (PubChem CID 57050105) has the molecular formula C21H38O3Si and a molecular weight of 366.62 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[3-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexyl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[3-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexyl]methoxy]silane
PubChem CID57050105
Molecular FormulaC21H38O3Si
Molecular Weight366.62 g/mol
Exact Mass366.26
IUPAC Nametert-butyl-dimethyl-[[3-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexyl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCC1CCCC(C#CCOC2CCCCO2)C1
InChIInChI=1S/C21H38O3Si/c1-21(2,3)25(4,5)24-17-19-11-8-10-18(16-19)12-9-15-23-20-13-6-7-14-22-20/h18-20H,6-8,10-11,13-17H2,1-5H3
InChIKeyLLQSIUULIZHNQF-UHFFFAOYSA-N
XLogP5.36
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.62
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[3-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexyl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[3-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexyl]methoxy]silane (CID 57050105) is tert-butyl-dimethyl-[[3-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexyl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[3-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexyl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[3-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexyl]methoxy]silane is CC(C)(C)[Si](C)(C)OCC1CCCC(C#CCOC2CCCCO2)C1.
What is the InChIKey of tert-butyl-dimethyl-[[3-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexyl]methoxy]silane?
The InChIKey is LLQSIUULIZHNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38O3Si/c1-21(2,3)25(4,5)24-17-19-11-8-10-18(16-19)12-9-15-23-20-13-6-7-14-22-20/h18-20H,6-8,10-11,13-17H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[[3-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexyl]methoxy]silane?
tert-butyl-dimethyl-[[3-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexyl]methoxy]silane has a molecular weight of 366.62 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[3-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexyl]methoxy]silane is sourced from PubChem (CID 57050105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).