tert-butyl-[(2R)-1-cyclohexyloxybut-3-yn-2-yl]oxy-dimethylsilane

C16H30O2Si — CID 139770400

IUPACtert-butyl-[(2R)-1-cyclohexyloxybut-3-yn-2-yl]oxy-dimethylsilane
SMILESC#C[C@H](COC1CCCCC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-7-14(18-19(5,6)16(2,3)4)13-17-15-11-9-8-10-12-15/h1,14-15H,8-13H2,2-6H3/t14-/m1/s1
InChIKeyCCVFLFCYJSNLBH-CQSZACIVSA-N
MW282.50 g/mol
LogP4.36
Rot. Bonds5

About tert-butyl-[(2R)-1-cyclohexyloxybut-3-yn-2-yl]oxy-dimethylsilane

tert-butyl-[(2R)-1-cyclohexyloxybut-3-yn-2-yl]oxy-dimethylsilane (PubChem CID 139770400) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is tert-butyl-[(2R)-1-cyclohexyloxybut-3-yn-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R)-1-cyclohexyloxybut-3-yn-2-yl]oxy-dimethylsilane
PubChem CID139770400
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Nametert-butyl-[(2R)-1-cyclohexyloxybut-3-yn-2-yl]oxy-dimethylsilane
SMILESC#C[C@H](COC1CCCCC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-7-14(18-19(5,6)16(2,3)4)13-17-15-11-9-8-10-12-15/h1,14-15H,8-13H2,2-6H3/t14-/m1/s1
InChIKeyCCVFLFCYJSNLBH-CQSZACIVSA-N
XLogP4.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(2R,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-2-methyloxan-4-yl]oxy-dimethylsilane
CID 139247738
tert-butyl-[[(2S,3R)-3-but-3-ynyloxiran-2-yl]methoxy]-dimethylsilane
CID 155936769
tert-butyl-[(2R,3S)-2-ethynyloxan-3-yl]oxy-dimethylsilane
CID 10514596
tert-butyl-dimethyl-[(2R,4S)-2-(prop-2-ynoxymethyl)oxan-4-yl]oxysilane
CID 150504388
Tert-butyl-dimethyl-[2-(prop-2-ynoxymethyl)oxan-4-yl]oxysilane
CID 173780798
lithium tert-butyl-[(2R,3S)-2-ethynyloxan-3-yl]oxy-dimethylsilane
CID 10514595
tert-butyl-dimethyl-[(2R,3S)-2-prop-2-ynyloxan-3-yl]oxysilane
CID 10890472
Tert-butyl-(1-cyclohexyloxy-7-trimethylsilylhepta-1,6-diyn-4-yl)oxy-dimethylsilane
CID 10905275
tert-butyl-dimethyl-[(2R,3S)-2-pent-1-ynyloxan-3-yl]oxysilane
CID 10978933
tert-butyl-dimethyl-[(2S,3S)-2-pent-1-ynyloxan-3-yl]oxysilane
CID 11022380
tert-butyl-[(2S,3R)-2-ethynyloxan-3-yl]oxy-dimethylsilane
CID 11218681
tert-butyl-[(1S)-1-[(2S,6S)-6-hexyloxan-2-yl]prop-2-ynoxy]-dimethylsilane
CID 51040143

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R)-1-cyclohexyloxybut-3-yn-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R)-1-cyclohexyloxybut-3-yn-2-yl]oxy-dimethylsilane (CID 139770400) is tert-butyl-[(2R)-1-cyclohexyloxybut-3-yn-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R)-1-cyclohexyloxybut-3-yn-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R)-1-cyclohexyloxybut-3-yn-2-yl]oxy-dimethylsilane is C#C[C@H](COC1CCCCC1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R)-1-cyclohexyloxybut-3-yn-2-yl]oxy-dimethylsilane?
The InChIKey is CCVFLFCYJSNLBH-CQSZACIVSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-7-14(18-19(5,6)16(2,3)4)13-17-15-11-9-8-10-12-15/h1,14-15H,8-13H2,2-6H3/t14-/m1/s1.
What are the key properties of tert-butyl-[(2R)-1-cyclohexyloxybut-3-yn-2-yl]oxy-dimethylsilane?
tert-butyl-[(2R)-1-cyclohexyloxybut-3-yn-2-yl]oxy-dimethylsilane has a molecular weight of 282.50 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-1-cyclohexyloxybut-3-yn-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 139770400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).