tert-butyl-[(6-methoxycyclohexen-1-yl)methoxy]-dimethylsilane

C14H28O2Si — CID 102475887

IUPACtert-butyl-[(6-methoxycyclohexen-1-yl)methoxy]-dimethylsilane
SMILESCOC1CCCC=C1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-14(2,3)17(5,6)16-11-12-9-7-8-10-13(12)15-4/h9,13H,7-8,10-11H2,1-6H3
InChIKeyCHLHUPJUEHNJSA-UHFFFAOYSA-N
MW256.46 g/mol
LogP4.13
Rot. Bonds4

About tert-butyl-[(6-methoxycyclohexen-1-yl)methoxy]-dimethylsilane

tert-butyl-[(6-methoxycyclohexen-1-yl)methoxy]-dimethylsilane (PubChem CID 102475887) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is tert-butyl-[(6-methoxycyclohexen-1-yl)methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(6-methoxycyclohexen-1-yl)methoxy]-dimethylsilane
PubChem CID102475887
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Nametert-butyl-[(6-methoxycyclohexen-1-yl)methoxy]-dimethylsilane
SMILESCOC1CCCC=C1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-14(2,3)17(5,6)16-11-12-9-7-8-10-13(12)15-4/h9,13H,7-8,10-11H2,1-6H3
InChIKeyCHLHUPJUEHNJSA-UHFFFAOYSA-N
XLogP4.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-{[(Tert-butyldimethylsilyl)oxy]methyl}cyclohex-2-en-1-ol
CID 85788879
tert-Butyl(dimethyl){[(1R,3s,5S)-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy}silane
CID 11333927
tert-butyl-dimethyl-[[(1S,6R)-7-oxabicyclo[4.1.0]hept-2-en-2-yl]methoxy]silane
CID 11241934
tert-butyl-[(Z)-4-methoxyoct-2-enoxy]-dimethylsilane
CID 11529167
tert-butyl-dimethyl-[[(2R,4R)-2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran-4-yl]oxy]silane
CID 11687948
Tert-butyl-dimethyl-(7-oxabicyclo[4.1.0]hept-2-en-2-ylmethoxy)silane
CID 12002929
(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-ol
CID 101808796
tert-butyl-[(Z)-3-[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]prop-2-enoxy]-dimethylsilane
CID 134941898
[6-[Tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]methanol
CID 134965784
trimethyl-[(E)-2-methyl-1-[(1R)-3-methylcyclohex-2-en-1-yl]oxybut-1-enoxy]silane
CID 135018697
trimethyl-[(Z)-2-methyl-1-[(1S)-3-methylcyclohex-2-en-1-yl]oxybut-1-enoxy]silane
CID 135019034
trimethyl-[(E)-2-methyl-1-[(1S)-3-methylcyclohex-2-en-1-yl]oxybut-1-enoxy]silane
CID 135040336

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(6-methoxycyclohexen-1-yl)methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(6-methoxycyclohexen-1-yl)methoxy]-dimethylsilane (CID 102475887) is tert-butyl-[(6-methoxycyclohexen-1-yl)methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(6-methoxycyclohexen-1-yl)methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(6-methoxycyclohexen-1-yl)methoxy]-dimethylsilane is COC1CCCC=C1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(6-methoxycyclohexen-1-yl)methoxy]-dimethylsilane?
The InChIKey is CHLHUPJUEHNJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-14(2,3)17(5,6)16-11-12-9-7-8-10-13(12)15-4/h9,13H,7-8,10-11H2,1-6H3.
What are the key properties of tert-butyl-[(6-methoxycyclohexen-1-yl)methoxy]-dimethylsilane?
tert-butyl-[(6-methoxycyclohexen-1-yl)methoxy]-dimethylsilane has a molecular weight of 256.46 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(6-methoxycyclohexen-1-yl)methoxy]-dimethylsilane is sourced from PubChem (CID 102475887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).