[(Z,2S)-2-(cyclohexen-1-yloxy)hept-3-enoxy]-triethylsilane

C19H36O2Si — CID 10592100

IUPAC[(Z,2S)-2-(cyclohexen-1-yloxy)hept-3-enoxy]-triethylsilane
SMILESCCC/C=C\[C@@H](CO[Si](CC)(CC)CC)OC1=CCCCC1
InChIInChI=1S/C19H36O2Si/c1-5-9-11-16-19(21-18-14-12-10-13-15-18)17-20-22(6-2,7-3)8-4/h11,14,16,19H,5-10,12-13,15,17H2,1-4H3/b16-11-/t19-/m0/s1
InChIKeyYKRIPGWLNXRWMH-QMDZLVRISA-N
MW324.58 g/mol
LogP6.21
Rot. Bonds11

About [(Z,2S)-2-(cyclohexen-1-yloxy)hept-3-enoxy]-triethylsilane

[(Z,2S)-2-(cyclohexen-1-yloxy)hept-3-enoxy]-triethylsilane (PubChem CID 10592100) has the molecular formula C19H36O2Si and a molecular weight of 324.58 g/mol. Its IUPAC name is [(Z,2S)-2-(cyclohexen-1-yloxy)hept-3-enoxy]-triethylsilane.

Molecular Properties

Compound Name[(Z,2S)-2-(cyclohexen-1-yloxy)hept-3-enoxy]-triethylsilane
PubChem CID10592100
Molecular FormulaC19H36O2Si
Molecular Weight324.58 g/mol
Exact Mass324.25
IUPAC Name[(Z,2S)-2-(cyclohexen-1-yloxy)hept-3-enoxy]-triethylsilane
SMILESCCC/C=C\[C@@H](CO[Si](CC)(CC)CC)OC1=CCCCC1
InChIInChI=1S/C19H36O2Si/c1-5-9-11-16-19(21-18-14-12-10-13-15-18)17-20-22(6-2,7-3)8-4/h11,14,16,19H,5-10,12-13,15,17H2,1-4H3/b16-11-/t19-/m0/s1
InChIKeyYKRIPGWLNXRWMH-QMDZLVRISA-N
XLogP6.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.58
LogP ≤ 56.21
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

tert-butyl-dimethyl-[(2R,3S,6R)-4-methylidene-2,6-bis[(E)-prop-1-enyl]oxan-3-yl]oxysilane
CID 101185879
triethyl-[(3S,4S,5E)-7-prop-2-enoxy-4-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxyhepta-1,5-dien-3-yl]oxysilane
CID 11613803
tert-butyl-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(6R)-3,6-dihydro-2H-pyran-6-yl]but-3-enoxy]-dimethylsilane
CID 101193985
trimethyl-[[(1S,6S)-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane
CID 134889932
[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-prop-2-enyl-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134930722
tert-butyl-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5Z)-6-methoxy-2,7-dimethylocta-1,5,7-trien-4-yl]oxyhept-6-enoxy]-dimethylsilane
CID 134939172
triethyl-[(3R,4S,5E)-7-prop-2-enoxy-4-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxyhepta-1,5-dien-3-yl]oxysilane
CID 134939457
tert-butyl-dimethyl-[(1R)-1-[(2S)-4-methyl-2,5-dihydrofuran-2-yl]hex-5-enoxy]silane
CID 10732731
tert-butyl-dimethyl-[(1S)-1-[(2S)-4-methyl-2,5-dihydrofuran-2-yl]hex-5-enoxy]silane
CID 10803913
Trimethyl(7-oxabicyclo[4.1.0]hept-2-en-2-yloxy)silane
CID 11084546
1-Trimethylsilyloxy-6-(s)-methoxy-1-cyclohexene
CID 10987281
(6-Methoxycyclohexen-1-yl)oxy-trimethylsilane
CID 12476675

Frequently Asked Questions

What is the IUPAC name of [(Z,2S)-2-(cyclohexen-1-yloxy)hept-3-enoxy]-triethylsilane?
The IUPAC name of [(Z,2S)-2-(cyclohexen-1-yloxy)hept-3-enoxy]-triethylsilane (CID 10592100) is [(Z,2S)-2-(cyclohexen-1-yloxy)hept-3-enoxy]-triethylsilane.
What is the SMILES notation for [(Z,2S)-2-(cyclohexen-1-yloxy)hept-3-enoxy]-triethylsilane?
The canonical SMILES for [(Z,2S)-2-(cyclohexen-1-yloxy)hept-3-enoxy]-triethylsilane is CCC/C=C\[C@@H](CO[Si](CC)(CC)CC)OC1=CCCCC1.
What is the InChIKey of [(Z,2S)-2-(cyclohexen-1-yloxy)hept-3-enoxy]-triethylsilane?
The InChIKey is YKRIPGWLNXRWMH-QMDZLVRISA-N. The full InChI is InChI=1S/C19H36O2Si/c1-5-9-11-16-19(21-18-14-12-10-13-15-18)17-20-22(6-2,7-3)8-4/h11,14,16,19H,5-10,12-13,15,17H2,1-4H3/b16-11-/t19-/m0/s1.
What are the key properties of [(Z,2S)-2-(cyclohexen-1-yloxy)hept-3-enoxy]-triethylsilane?
[(Z,2S)-2-(cyclohexen-1-yloxy)hept-3-enoxy]-triethylsilane has a molecular weight of 324.58 g/mol, XLogP of 6.21, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,2S)-2-(cyclohexen-1-yloxy)hept-3-enoxy]-triethylsilane is sourced from PubChem (CID 10592100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).