tert-butyl-[(1S,6R)-6-ethenyl-3-methyl-6-(prop-2-ynoxymethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane

C19H32O2Si — CID 66559463

IUPACtert-butyl-[(1S,6R)-6-ethenyl-3-methyl-6-(prop-2-ynoxymethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane
SMILESC#CCOC[C@]1(C=C)CCC(C)=C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H32O2Si/c1-9-13-20-15-19(10-2)12-11-16(3)14-17(19)21-22(7,8)18(4,5)6/h1,10,14,17H,2,11-13,15H2,3-8H3/t17-,19-/m0/s1
InChIKeyHKQZERCXHHMARK-HKUYNNGSSA-N
MW320.55 g/mol
LogP4.94
Rot. Bonds6

About tert-butyl-[(1S,6R)-6-ethenyl-3-methyl-6-(prop-2-ynoxymethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane

tert-butyl-[(1S,6R)-6-ethenyl-3-methyl-6-(prop-2-ynoxymethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane (PubChem CID 66559463) has the molecular formula C19H32O2Si and a molecular weight of 320.55 g/mol. Its IUPAC name is tert-butyl-[(1S,6R)-6-ethenyl-3-methyl-6-(prop-2-ynoxymethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S,6R)-6-ethenyl-3-methyl-6-(prop-2-ynoxymethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane
PubChem CID66559463
Molecular FormulaC19H32O2Si
Molecular Weight320.55 g/mol
Exact Mass320.22
IUPAC Nametert-butyl-[(1S,6R)-6-ethenyl-3-methyl-6-(prop-2-ynoxymethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane
SMILESC#CCOC[C@]1(C=C)CCC(C)=C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H32O2Si/c1-9-13-20-15-19(10-2)12-11-16(3)14-17(19)21-22(7,8)18(4,5)6/h1,10,14,17H,2,11-13,15H2,3-8H3/t17-,19-/m0/s1
InChIKeyHKQZERCXHHMARK-HKUYNNGSSA-N
XLogP4.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.55
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(1S)-4-ethenyl-4-[(E)-3-methoxyprop-2-enyl]cyclohex-2-en-1-yl]oxy-dimethylsilane
CID 12132481
tert-butyl-[[(1R,2S)-1-ethynyl-4-methyl-2-prop-2-enoxycyclohex-3-en-1-yl]methoxy]-dimethylsilane
CID 16127490
tert-butyl-dimethyl-[[(1R,2S)-4-methyl-2-prop-2-enoxy-1-(2-trimethylsilylethynyl)cyclohex-3-en-1-yl]methoxy]silane
CID 135071647
tert-butyl-dimethyl-[[(1R,3S,4E,8E,11R)-4,7,7,11-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,8-dien-3-yl]oxy]silane
CID 162420072
tert-butyl-[2-[2-(2,6-dimethylhept-5-enyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]-dimethylsilane
CID 68706705
tert-butyl-[(2E,6E)-3,7,8,8,10,10-hexamethyl-11-prop-2-ynoxyundeca-2,6-dienoxy]-dimethylsilane
CID 88487600
tert-butyl-dimethyl-[2-[(2R,6R)-2-[(2S)-2-methyl-4-(trimethylsilylmethyl)pent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy]silane
CID 11154128
tert-butyl-[2-[(2R,6R)-2-[(2S)-2,4-dimethylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy]-dimethylsilane
CID 11163570
tert-butyl-[[(1S,2R)-4-ethenyl-3-methyl-2-prop-2-ynoxycyclohex-3-en-1-yl]methoxy]-dimethylsilane
CID 21771052
tert-butyl-[[(1R,2R)-4-ethenyl-3-methyl-2-prop-2-ynoxycyclohex-3-en-1-yl]methoxy]-dimethylsilane
CID 21771053
[(1S,2R)-2-but-3-enyl-2-ethynyl-3-methylcyclohex-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 56594956
tert-butyl-dimethyl-[2-[(2R,6R)-2-[(2R)-2-methyl-4-(trimethylsilylmethyl)pent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy]silane
CID 101169861

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S,6R)-6-ethenyl-3-methyl-6-(prop-2-ynoxymethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1S,6R)-6-ethenyl-3-methyl-6-(prop-2-ynoxymethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane (CID 66559463) is tert-butyl-[(1S,6R)-6-ethenyl-3-methyl-6-(prop-2-ynoxymethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S,6R)-6-ethenyl-3-methyl-6-(prop-2-ynoxymethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S,6R)-6-ethenyl-3-methyl-6-(prop-2-ynoxymethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane is C#CCOC[C@]1(C=C)CCC(C)=C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1S,6R)-6-ethenyl-3-methyl-6-(prop-2-ynoxymethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane?
The InChIKey is HKQZERCXHHMARK-HKUYNNGSSA-N. The full InChI is InChI=1S/C19H32O2Si/c1-9-13-20-15-19(10-2)12-11-16(3)14-17(19)21-22(7,8)18(4,5)6/h1,10,14,17H,2,11-13,15H2,3-8H3/t17-,19-/m0/s1.
What are the key properties of tert-butyl-[(1S,6R)-6-ethenyl-3-methyl-6-(prop-2-ynoxymethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane?
tert-butyl-[(1S,6R)-6-ethenyl-3-methyl-6-(prop-2-ynoxymethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane has a molecular weight of 320.55 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S,6R)-6-ethenyl-3-methyl-6-(prop-2-ynoxymethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 66559463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).