tert-butyl-dimethyl-[(1R)-2,2,2-trichloro-1-[(2R,3S)-3-cyclohexyloxiran-2-yl]ethoxy]silane

C16H29Cl3O2Si — CID 10916080

IUPACtert-butyl-dimethyl-[(1R)-2,2,2-trichloro-1-[(2R,3S)-3-cyclohexyloxiran-2-yl]ethoxy]silane
SMILESCC(C)(C)[Si](C)(C)O[C@H]([C@@H]1O[C@H]1C1CCCCC1)C(Cl)(Cl)Cl
InChIInChI=1S/C16H29Cl3O2Si/c1-15(2,3)22(4,5)21-14(16(17,18)19)13-12(20-13)11-9-7-6-8-10-11/h11-14H,6-10H2,1-5H3/t12-,13+,14+/m0/s1
InChIKeyDMWPUEBCLOBWBH-BFHYXJOUSA-N
MW387.85 g/mol
LogP6.09
Rot. Bonds4

About tert-butyl-dimethyl-[(1R)-2,2,2-trichloro-1-[(2R,3S)-3-cyclohexyloxiran-2-yl]ethoxy]silane

tert-butyl-dimethyl-[(1R)-2,2,2-trichloro-1-[(2R,3S)-3-cyclohexyloxiran-2-yl]ethoxy]silane (PubChem CID 10916080) has the molecular formula C16H29Cl3O2Si and a molecular weight of 387.85 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1R)-2,2,2-trichloro-1-[(2R,3S)-3-cyclohexyloxiran-2-yl]ethoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1R)-2,2,2-trichloro-1-[(2R,3S)-3-cyclohexyloxiran-2-yl]ethoxy]silane
PubChem CID10916080
Molecular FormulaC16H29Cl3O2Si
Molecular Weight387.85 g/mol
Exact Mass386.10
IUPAC Nametert-butyl-dimethyl-[(1R)-2,2,2-trichloro-1-[(2R,3S)-3-cyclohexyloxiran-2-yl]ethoxy]silane
SMILESCC(C)(C)[Si](C)(C)O[C@H]([C@@H]1O[C@H]1C1CCCCC1)C(Cl)(Cl)Cl
InChIInChI=1S/C16H29Cl3O2Si/c1-15(2,3)22(4,5)21-14(16(17,18)19)13-12(20-13)11-9-7-6-8-10-11/h11-14H,6-10H2,1-5H3/t12-,13+,14+/m0/s1
InChIKeyDMWPUEBCLOBWBH-BFHYXJOUSA-N
XLogP6.09
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.85
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpropan-2-ol
CID 166437528
tert-butyl-[(E,1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-3-enoxy]-dimethylsilane
CID 10693040
tert-butyl-(1-cyclopropylethoxy)-dimethylsilane
CID 22391705
2-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropan-1-ol
CID 19966072
tert-butyl-(1-cyclopentylprop-2-ynoxy)-dimethylsilane
CID 14314323
tert-butyl-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1,4-bis(cyclohexylsulfanyl)butan-2-yl]oxy-dimethylsilane
CID 101186688
tert-butyl-(1-cyclopentyl-3-iodoprop-2-enoxy)-dimethylsilane
CID 54075058
(2S,3R)-2,3-dicyclohexyloxirane
CID 169013366
methyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyl-3-methylpent-2-enoate
CID 134943935
tert-butyl-[(1R)-1-cyclopropylprop-2-enoxy]-dimethylsilane
CID 67046197
tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane
CID 158464609
(1S,4R)-4-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylprop-1-ynyl]cyclopent-2-en-1-ol
CID 14571578

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1R)-2,2,2-trichloro-1-[(2R,3S)-3-cyclohexyloxiran-2-yl]ethoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(1R)-2,2,2-trichloro-1-[(2R,3S)-3-cyclohexyloxiran-2-yl]ethoxy]silane (CID 10916080) is tert-butyl-dimethyl-[(1R)-2,2,2-trichloro-1-[(2R,3S)-3-cyclohexyloxiran-2-yl]ethoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(1R)-2,2,2-trichloro-1-[(2R,3S)-3-cyclohexyloxiran-2-yl]ethoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(1R)-2,2,2-trichloro-1-[(2R,3S)-3-cyclohexyloxiran-2-yl]ethoxy]silane is CC(C)(C)[Si](C)(C)O[C@H]([C@@H]1O[C@H]1C1CCCCC1)C(Cl)(Cl)Cl.
What is the InChIKey of tert-butyl-dimethyl-[(1R)-2,2,2-trichloro-1-[(2R,3S)-3-cyclohexyloxiran-2-yl]ethoxy]silane?
The InChIKey is DMWPUEBCLOBWBH-BFHYXJOUSA-N. The full InChI is InChI=1S/C16H29Cl3O2Si/c1-15(2,3)22(4,5)21-14(16(17,18)19)13-12(20-13)11-9-7-6-8-10-11/h11-14H,6-10H2,1-5H3/t12-,13+,14+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(1R)-2,2,2-trichloro-1-[(2R,3S)-3-cyclohexyloxiran-2-yl]ethoxy]silane?
tert-butyl-dimethyl-[(1R)-2,2,2-trichloro-1-[(2R,3S)-3-cyclohexyloxiran-2-yl]ethoxy]silane has a molecular weight of 387.85 g/mol, XLogP of 6.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1R)-2,2,2-trichloro-1-[(2R,3S)-3-cyclohexyloxiran-2-yl]ethoxy]silane is sourced from PubChem (CID 10916080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).