tert-butyl-[(1S)-1-[(2S,6S)-6-hexyloxan-2-yl]prop-2-ynoxy]-dimethylsilane

C20H38O2Si — CID 51040143

IUPACtert-butyl-[(1S)-1-[(2S,6S)-6-hexyloxan-2-yl]prop-2-ynoxy]-dimethylsilane
SMILESC#C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CCC[C@H](CCCCCC)O1
InChIInChI=1S/C20H38O2Si/c1-8-10-11-12-14-17-15-13-16-19(21-17)18(9-2)22-23(6,7)20(3,4)5/h2,17-19H,8,10-16H2,1,3-7H3/t17-,18-,19-/m0/s1
InChIKeyXJJPWQFKKWOQEN-FHWLQOOXSA-N
MW338.61 g/mol
LogP5.92
Rot. Bonds8

About tert-butyl-[(1S)-1-[(2S,6S)-6-hexyloxan-2-yl]prop-2-ynoxy]-dimethylsilane

tert-butyl-[(1S)-1-[(2S,6S)-6-hexyloxan-2-yl]prop-2-ynoxy]-dimethylsilane (PubChem CID 51040143) has the molecular formula C20H38O2Si and a molecular weight of 338.61 g/mol. Its IUPAC name is tert-butyl-[(1S)-1-[(2S,6S)-6-hexyloxan-2-yl]prop-2-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S)-1-[(2S,6S)-6-hexyloxan-2-yl]prop-2-ynoxy]-dimethylsilane
PubChem CID51040143
Molecular FormulaC20H38O2Si
Molecular Weight338.61 g/mol
Exact Mass338.26
IUPAC Nametert-butyl-[(1S)-1-[(2S,6S)-6-hexyloxan-2-yl]prop-2-ynoxy]-dimethylsilane
SMILESC#C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CCC[C@H](CCCCCC)O1
InChIInChI=1S/C20H38O2Si/c1-8-10-11-12-14-17-15-13-16-19(21-17)18(9-2)22-23(6,7)20(3,4)5/h2,17-19H,8,10-16H2,1,3-7H3/t17-,18-,19-/m0/s1
InChIKeyXJJPWQFKKWOQEN-FHWLQOOXSA-N
XLogP5.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.61
LogP ≤ 55.92
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(6-Hexyloxan-2-yl)ethynyl-tri(propan-2-yl)silane
CID 134937269
tert-butyl-[(2R,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-2-methyloxan-4-yl]oxy-dimethylsilane
CID 139247738
Glycerol, 2-hexadecyl ether, DTBS
CID 523758
tert-butyl-[(2R,3S)-2-ethynyloxan-3-yl]oxy-dimethylsilane
CID 10514596
tert-butyl-[(2S,3R,4S,5S)-4-methoxy-5-methyl-2-non-1-ynyloxan-3-yl]oxy-dimethylsilane
CID 57324142
Tert-butyl-dimethyl-[11-(3-pentyloxiran-2-yl)undec-6-ynoxy]silane
CID 59341246
tert-butyl-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxan-2-yl]ethoxy]-dimethylsilane
CID 60088521
(2-Butoxy-3-hexadecoxypropoxy)-tert-butyl-dimethylsilane
CID 88562055
tert-butyl-[(2R)-1-cyclohexyloxybut-3-yn-2-yl]oxy-dimethylsilane
CID 139770400
tert-butyl-[(2R)-2-methoxy-3-octadecoxypropoxy]-dimethylsilane
CID 156835466
Tert-butyl-dimethyl-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane
CID 170688804
Trimethyl-[16-(2-propan-2-yloxyethoxy)hexadec-1-ynyl]silane
CID 170688837

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S)-1-[(2S,6S)-6-hexyloxan-2-yl]prop-2-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1S)-1-[(2S,6S)-6-hexyloxan-2-yl]prop-2-ynoxy]-dimethylsilane (CID 51040143) is tert-butyl-[(1S)-1-[(2S,6S)-6-hexyloxan-2-yl]prop-2-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S)-1-[(2S,6S)-6-hexyloxan-2-yl]prop-2-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S)-1-[(2S,6S)-6-hexyloxan-2-yl]prop-2-ynoxy]-dimethylsilane is C#C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CCC[C@H](CCCCCC)O1.
What is the InChIKey of tert-butyl-[(1S)-1-[(2S,6S)-6-hexyloxan-2-yl]prop-2-ynoxy]-dimethylsilane?
The InChIKey is XJJPWQFKKWOQEN-FHWLQOOXSA-N. The full InChI is InChI=1S/C20H38O2Si/c1-8-10-11-12-14-17-15-13-16-19(21-17)18(9-2)22-23(6,7)20(3,4)5/h2,17-19H,8,10-16H2,1,3-7H3/t17-,18-,19-/m0/s1.
What are the key properties of tert-butyl-[(1S)-1-[(2S,6S)-6-hexyloxan-2-yl]prop-2-ynoxy]-dimethylsilane?
tert-butyl-[(1S)-1-[(2S,6S)-6-hexyloxan-2-yl]prop-2-ynoxy]-dimethylsilane has a molecular weight of 338.61 g/mol, XLogP of 5.92, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S)-1-[(2S,6S)-6-hexyloxan-2-yl]prop-2-ynoxy]-dimethylsilane is sourced from PubChem (CID 51040143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).