[(S)-cyclohexen-1-yl-[(2S,6S)-6-methoxyoxan-2-yl]methoxy]-triethylsilane

C19H36O3Si — CID 101354581

IUPAC[(S)-cyclohexen-1-yl-[(2S,6S)-6-methoxyoxan-2-yl]methoxy]-triethylsilane
SMILESCC[Si](CC)(CC)O[C@@H](C1=CCCCC1)[C@@H]1CCC[C@@H](OC)O1
InChIInChI=1S/C19H36O3Si/c1-5-23(6-2,7-3)22-19(16-12-9-8-10-13-16)17-14-11-15-18(20-4)21-17/h12,17-19H,5-11,13-15H2,1-4H3/t17-,18-,19-/m0/s1
InChIKeyCFFGLJWOHJGOER-FHWLQOOXSA-N
MW340.58 g/mol
LogP5.42
Rot. Bonds8

About [(S)-cyclohexen-1-yl-[(2S,6S)-6-methoxyoxan-2-yl]methoxy]-triethylsilane

[(S)-cyclohexen-1-yl-[(2S,6S)-6-methoxyoxan-2-yl]methoxy]-triethylsilane (PubChem CID 101354581) has the molecular formula C19H36O3Si and a molecular weight of 340.58 g/mol. Its IUPAC name is [(S)-cyclohexen-1-yl-[(2S,6S)-6-methoxyoxan-2-yl]methoxy]-triethylsilane.

Molecular Properties

Compound Name[(S)-cyclohexen-1-yl-[(2S,6S)-6-methoxyoxan-2-yl]methoxy]-triethylsilane
PubChem CID101354581
Molecular FormulaC19H36O3Si
Molecular Weight340.58 g/mol
Exact Mass340.24
IUPAC Name[(S)-cyclohexen-1-yl-[(2S,6S)-6-methoxyoxan-2-yl]methoxy]-triethylsilane
SMILESCC[Si](CC)(CC)O[C@@H](C1=CCCCC1)[C@@H]1CCC[C@@H](OC)O1
InChIInChI=1S/C19H36O3Si/c1-5-23(6-2,7-3)22-19(16-12-9-8-10-13-16)17-14-11-15-18(20-4)21-17/h12,17-19H,5-11,13-15H2,1-4H3/t17-,18-,19-/m0/s1
InChIKeyCFFGLJWOHJGOER-FHWLQOOXSA-N
XLogP5.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.58
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

[(6S,6aR,8R,9R,10aS,10bR)-8,9-dimethoxy-2,2,8,9-tetramethyl-6,6a,10a,10b-tetrahydro-4H-[1,4]dioxino[2,3-h][1,3]benzodioxin-6-yl]oxy-tert-butyl-dimethylsilane
CID 44598795
[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[(5S,6S)-5-(methoxymethoxy)-2,2-dimethyl-3-tridecyl-5,6-dihydrooxasilin-6-yl]methoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 134846021
[(6R,6aR,8R,9R,10aS,10bR)-8,9-dimethoxy-2,2,8,9-tetramethyl-6,6a,10a,10b-tetrahydro-4H-[1,4]dioxino[2,3-h][1,3]benzodioxin-6-yl]oxy-tert-butyl-dimethylsilane
CID 135013965
Tert-butyl-dimethyl-[4-(oxan-2-yloxy)-2-[7-(oxan-2-yloxy)heptyl]cyclopent-2-en-1-yl]oxysilane
CID 13216827
tert-butyl-[(1S,4S)-2-butyl-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane
CID 56607149
Tert-butyl-dimethyl-[2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-yl]oxysilane
CID 57058828
Tert-butyl-dimethyl-[1-(oxan-2-yloxy)pent-3-en-2-yloxy]silane
CID 68810381
(6E,10Z)-3-(tert.-butyldimethylsilyloxy)-2,6,10-trimethyl-12-[(tetrahydro-2H-pyran-2-yl)oxy]-1,6,10-dodecatriene
CID 70394004
tert-butyl-[(1S,4R)-2-butyl-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane
CID 70433754
tert-butyl-[(4R)-2-butyl-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane
CID 70536230
tert-butyl-dimethyl-[(Z)-11-(oxan-2-yloxy)tetradec-5-enoxy]silane
CID 153395342
tert-butyl-dimethyl-[(Z)-13-(oxan-2-yloxy)tetradec-5-enoxy]silane
CID 153395348

Frequently Asked Questions

What is the IUPAC name of [(S)-cyclohexen-1-yl-[(2S,6S)-6-methoxyoxan-2-yl]methoxy]-triethylsilane?
The IUPAC name of [(S)-cyclohexen-1-yl-[(2S,6S)-6-methoxyoxan-2-yl]methoxy]-triethylsilane (CID 101354581) is [(S)-cyclohexen-1-yl-[(2S,6S)-6-methoxyoxan-2-yl]methoxy]-triethylsilane.
What is the SMILES notation for [(S)-cyclohexen-1-yl-[(2S,6S)-6-methoxyoxan-2-yl]methoxy]-triethylsilane?
The canonical SMILES for [(S)-cyclohexen-1-yl-[(2S,6S)-6-methoxyoxan-2-yl]methoxy]-triethylsilane is CC[Si](CC)(CC)O[C@@H](C1=CCCCC1)[C@@H]1CCC[C@@H](OC)O1.
What is the InChIKey of [(S)-cyclohexen-1-yl-[(2S,6S)-6-methoxyoxan-2-yl]methoxy]-triethylsilane?
The InChIKey is CFFGLJWOHJGOER-FHWLQOOXSA-N. The full InChI is InChI=1S/C19H36O3Si/c1-5-23(6-2,7-3)22-19(16-12-9-8-10-13-16)17-14-11-15-18(20-4)21-17/h12,17-19H,5-11,13-15H2,1-4H3/t17-,18-,19-/m0/s1.
What are the key properties of [(S)-cyclohexen-1-yl-[(2S,6S)-6-methoxyoxan-2-yl]methoxy]-triethylsilane?
[(S)-cyclohexen-1-yl-[(2S,6S)-6-methoxyoxan-2-yl]methoxy]-triethylsilane has a molecular weight of 340.58 g/mol, XLogP of 5.42, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-cyclohexen-1-yl-[(2S,6S)-6-methoxyoxan-2-yl]methoxy]-triethylsilane is sourced from PubChem (CID 101354581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).