tert-butyl-dimethyl-[(2R,3S)-2-pent-1-ynyloxan-3-yl]oxysilane

C16H30O2Si — CID 10978933

IUPACtert-butyl-dimethyl-[(2R,3S)-2-pent-1-ynyloxan-3-yl]oxysilane
SMILESCCCC#C[C@H]1OCCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-7-8-9-11-14-15(12-10-13-17-14)18-19(5,6)16(2,3)4/h14-15H,7-8,10,12-13H2,1-6H3/t14-,15+/m1/s1
InChIKeyPSBBLZLKWFEOMC-CABCVRRESA-N
MW282.50 g/mol
LogP4.36
Rot. Bonds3

About tert-butyl-dimethyl-[(2R,3S)-2-pent-1-ynyloxan-3-yl]oxysilane

tert-butyl-dimethyl-[(2R,3S)-2-pent-1-ynyloxan-3-yl]oxysilane (PubChem CID 10978933) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2R,3S)-2-pent-1-ynyloxan-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2R,3S)-2-pent-1-ynyloxan-3-yl]oxysilane
PubChem CID10978933
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Nametert-butyl-dimethyl-[(2R,3S)-2-pent-1-ynyloxan-3-yl]oxysilane
SMILESCCCC#C[C@H]1OCCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-7-8-9-11-14-15(12-10-13-17-14)18-19(5,6)16(2,3)4/h14-15H,7-8,10,12-13H2,1-6H3/t14-,15+/m1/s1
InChIKeyPSBBLZLKWFEOMC-CABCVRRESA-N
XLogP4.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-yl]oxy-dimethylsilane
CID 44420168
Tert-butyl-dimethyl-(oxan-2-ylmethoxy)silane
CID 54753890
2-(Oxan-2-yl)ethynyl-tri(propan-2-yl)silane
CID 85749031
tert-butyl-[(2R,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-2-methyloxan-4-yl]oxy-dimethylsilane
CID 139247738
tert-butyl-[(2R,3S)-2-ethynyloxan-3-yl]oxy-dimethylsilane
CID 10514596
Trimethyl-[3-(oxan-3-yloxy)but-1-ynyl]silane
CID 20347245
Trimethyl-[3-(oxan-3-yloxy)prop-1-ynyl]silane
CID 20442079
Trimethyl-[4-methyl-3-(oxan-3-yloxy)oct-1-ynyl]silane
CID 21392997
tert-butyl-[(2S,3R,4S,5S)-2-ethynyl-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane
CID 57251271
tert-butyl-[(2S,3R,4S,5S)-4-methoxy-5-methyl-2-non-1-ynyloxan-3-yl]oxy-dimethylsilane
CID 57324142
tert-butyl-[(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-yl]oxy-dimethylsilane
CID 67885181
tert-butyl-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-yl]oxy-dimethylsilane
CID 67885183

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2R,3S)-2-pent-1-ynyloxan-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(2R,3S)-2-pent-1-ynyloxan-3-yl]oxysilane (CID 10978933) is tert-butyl-dimethyl-[(2R,3S)-2-pent-1-ynyloxan-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(2R,3S)-2-pent-1-ynyloxan-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(2R,3S)-2-pent-1-ynyloxan-3-yl]oxysilane is CCCC#C[C@H]1OCCC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2R,3S)-2-pent-1-ynyloxan-3-yl]oxysilane?
The InChIKey is PSBBLZLKWFEOMC-CABCVRRESA-N. The full InChI is InChI=1S/C16H30O2Si/c1-7-8-9-11-14-15(12-10-13-17-14)18-19(5,6)16(2,3)4/h14-15H,7-8,10,12-13H2,1-6H3/t14-,15+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(2R,3S)-2-pent-1-ynyloxan-3-yl]oxysilane?
tert-butyl-dimethyl-[(2R,3S)-2-pent-1-ynyloxan-3-yl]oxysilane has a molecular weight of 282.50 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2R,3S)-2-pent-1-ynyloxan-3-yl]oxysilane is sourced from PubChem (CID 10978933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).