tert-butyl-dimethyl-[[(1R,2S)-4-methyl-2-prop-2-enoxy-1-(2-trimethylsilylethynyl)cyclohex-3-en-1-yl]methoxy]silane

C22H40O2Si2 — CID 135071647

IUPACtert-butyl-dimethyl-[[(1R,2S)-4-methyl-2-prop-2-enoxy-1-(2-trimethylsilylethynyl)cyclohex-3-en-1-yl]methoxy]silane
SMILESC=CCO[C@H]1C=C(C)CC[C@@]1(C#C[Si](C)(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H40O2Si2/c1-11-15-23-20-17-19(2)12-13-22(20,14-16-25(6,7)8)18-24-26(9,10)21(3,4)5/h11,17,20H,1,12-13,15,18H2,2-10H3/t20-,22+/m0/s1
InChIKeyKXIXCLLGUZZCBV-RBBKRZOGSA-N
MW392.73 g/mol
LogP6.19
Rot. Bonds6

About tert-butyl-dimethyl-[[(1R,2S)-4-methyl-2-prop-2-enoxy-1-(2-trimethylsilylethynyl)cyclohex-3-en-1-yl]methoxy]silane

tert-butyl-dimethyl-[[(1R,2S)-4-methyl-2-prop-2-enoxy-1-(2-trimethylsilylethynyl)cyclohex-3-en-1-yl]methoxy]silane (PubChem CID 135071647) has the molecular formula C22H40O2Si2 and a molecular weight of 392.73 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1R,2S)-4-methyl-2-prop-2-enoxy-1-(2-trimethylsilylethynyl)cyclohex-3-en-1-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1R,2S)-4-methyl-2-prop-2-enoxy-1-(2-trimethylsilylethynyl)cyclohex-3-en-1-yl]methoxy]silane
PubChem CID135071647
Molecular FormulaC22H40O2Si2
Molecular Weight392.73 g/mol
Exact Mass392.26
IUPAC Nametert-butyl-dimethyl-[[(1R,2S)-4-methyl-2-prop-2-enoxy-1-(2-trimethylsilylethynyl)cyclohex-3-en-1-yl]methoxy]silane
SMILESC=CCO[C@H]1C=C(C)CC[C@@]1(C#C[Si](C)(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H40O2Si2/c1-11-15-23-20-17-19(2)12-13-22(20,14-16-25(6,7)8)18-24-26(9,10)21(3,4)5/h11,17,20H,1,12-13,15,18H2,2-10H3/t20-,22+/m0/s1
InChIKeyKXIXCLLGUZZCBV-RBBKRZOGSA-N
XLogP6.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.73
LogP ≤ 56.19
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[[(1R,2S)-1-ethynyl-4-methyl-2-prop-2-enoxycyclohex-3-en-1-yl]methoxy]-dimethylsilane
CID 16127490
trimethyl-[(4S)-4-methyl-2-methylidene-5-[(2R,6R)-6-(3-trimethylsilylprop-2-ynyl)-3,6-dihydro-2H-pyran-2-yl]pentyl]silane
CID 11954549
tert-butyl-[2-[2-(2,6-dimethylhept-5-enyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]-dimethylsilane
CID 68706705
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
4-[(2S,3R,6R)-3,6-dimethyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]but-1-ynyl-trimethylsilane
CID 11233930
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
tert-butyl-[(1S,6R)-6-ethenyl-3-methyl-6-(prop-2-ynoxymethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane
CID 66559463
3-[[(1E,5S,7aR)-7a-methyl-1-(2-trimethylsilylethylidene)-3,5,6,7-tetrahydro-2H-inden-5-yl]oxy]prop-1-ynyl-trimethylsilane
CID 71475278
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
trimethyl-[(4R)-4-methyl-2-methylidene-5-[(2R,6R)-6-(2-trimethylsilyloxyethyl)-3,6-dihydro-2H-pyran-2-yl]pentyl]silane
CID 101241168

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1R,2S)-4-methyl-2-prop-2-enoxy-1-(2-trimethylsilylethynyl)cyclohex-3-en-1-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1R,2S)-4-methyl-2-prop-2-enoxy-1-(2-trimethylsilylethynyl)cyclohex-3-en-1-yl]methoxy]silane (CID 135071647) is tert-butyl-dimethyl-[[(1R,2S)-4-methyl-2-prop-2-enoxy-1-(2-trimethylsilylethynyl)cyclohex-3-en-1-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1R,2S)-4-methyl-2-prop-2-enoxy-1-(2-trimethylsilylethynyl)cyclohex-3-en-1-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1R,2S)-4-methyl-2-prop-2-enoxy-1-(2-trimethylsilylethynyl)cyclohex-3-en-1-yl]methoxy]silane is C=CCO[C@H]1C=C(C)CC[C@@]1(C#C[Si](C)(C)C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[[(1R,2S)-4-methyl-2-prop-2-enoxy-1-(2-trimethylsilylethynyl)cyclohex-3-en-1-yl]methoxy]silane?
The InChIKey is KXIXCLLGUZZCBV-RBBKRZOGSA-N. The full InChI is InChI=1S/C22H40O2Si2/c1-11-15-23-20-17-19(2)12-13-22(20,14-16-25(6,7)8)18-24-26(9,10)21(3,4)5/h11,17,20H,1,12-13,15,18H2,2-10H3/t20-,22+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(1R,2S)-4-methyl-2-prop-2-enoxy-1-(2-trimethylsilylethynyl)cyclohex-3-en-1-yl]methoxy]silane?
tert-butyl-dimethyl-[[(1R,2S)-4-methyl-2-prop-2-enoxy-1-(2-trimethylsilylethynyl)cyclohex-3-en-1-yl]methoxy]silane has a molecular weight of 392.73 g/mol, XLogP of 6.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1R,2S)-4-methyl-2-prop-2-enoxy-1-(2-trimethylsilylethynyl)cyclohex-3-en-1-yl]methoxy]silane is sourced from PubChem (CID 135071647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).