[(2R,3S,4R,5S,6S)-6-ethynyl-4,5-dimethyl-3-tri(propan-2-yl)silyloxyoxan-2-yl]methanol

C19H36O3Si — CID 90365476

IUPAC[(2R,3S,4R,5S,6S)-6-ethynyl-4,5-dimethyl-3-tri(propan-2-yl)silyloxyoxan-2-yl]methanol
SMILESC#C[C@H]1O[C@H](CO)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)C1C
InChIInChI=1S/C19H36O3Si/c1-10-17-15(8)16(9)19(18(11-20)21-17)22-23(12(2)3,13(4)5)14(6)7/h1,12-20H,11H2,2-9H3/t15?,16-,17-,18-,19+/m1/s1
InChIKeyXYAZASZEWBZWAA-MFXPGESHSA-N
MW340.58 g/mol
LogP4.21
Rot. Bonds6

About [(2R,3S,4R,5S,6S)-6-ethynyl-4,5-dimethyl-3-tri(propan-2-yl)silyloxyoxan-2-yl]methanol

[(2R,3S,4R,5S,6S)-6-ethynyl-4,5-dimethyl-3-tri(propan-2-yl)silyloxyoxan-2-yl]methanol (PubChem CID 90365476) has the molecular formula C19H36O3Si and a molecular weight of 340.58 g/mol. Its IUPAC name is [(2R,3S,4R,5S,6S)-6-ethynyl-4,5-dimethyl-3-tri(propan-2-yl)silyloxyoxan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S,4R,5S,6S)-6-ethynyl-4,5-dimethyl-3-tri(propan-2-yl)silyloxyoxan-2-yl]methanol
PubChem CID90365476
Molecular FormulaC19H36O3Si
Molecular Weight340.58 g/mol
Exact Mass340.24
IUPAC Name[(2R,3S,4R,5S,6S)-6-ethynyl-4,5-dimethyl-3-tri(propan-2-yl)silyloxyoxan-2-yl]methanol
SMILESC#C[C@H]1O[C@H](CO)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)C1C
InChIInChI=1S/C19H36O3Si/c1-10-17-15(8)16(9)19(18(11-20)21-17)22-23(12(2)3,13(4)5)14(6)7/h1,12-20H,11H2,2-9H3/t15?,16-,17-,18-,19+/m1/s1
InChIKeyXYAZASZEWBZWAA-MFXPGESHSA-N
XLogP4.21
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.58
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5S,6S)-6-ethynyl-4,5-dimethyl-3-tri(propan-2-yl)silyloxyoxan-2-yl]methanol?
The IUPAC name of [(2R,3S,4R,5S,6S)-6-ethynyl-4,5-dimethyl-3-tri(propan-2-yl)silyloxyoxan-2-yl]methanol (CID 90365476) is [(2R,3S,4R,5S,6S)-6-ethynyl-4,5-dimethyl-3-tri(propan-2-yl)silyloxyoxan-2-yl]methanol.
What is the SMILES notation for [(2R,3S,4R,5S,6S)-6-ethynyl-4,5-dimethyl-3-tri(propan-2-yl)silyloxyoxan-2-yl]methanol?
The canonical SMILES for [(2R,3S,4R,5S,6S)-6-ethynyl-4,5-dimethyl-3-tri(propan-2-yl)silyloxyoxan-2-yl]methanol is C#C[C@H]1O[C@H](CO)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)C1C.
What is the InChIKey of [(2R,3S,4R,5S,6S)-6-ethynyl-4,5-dimethyl-3-tri(propan-2-yl)silyloxyoxan-2-yl]methanol?
The InChIKey is XYAZASZEWBZWAA-MFXPGESHSA-N. The full InChI is InChI=1S/C19H36O3Si/c1-10-17-15(8)16(9)19(18(11-20)21-17)22-23(12(2)3,13(4)5)14(6)7/h1,12-20H,11H2,2-9H3/t15?,16-,17-,18-,19+/m1/s1.
What are the key properties of [(2R,3S,4R,5S,6S)-6-ethynyl-4,5-dimethyl-3-tri(propan-2-yl)silyloxyoxan-2-yl]methanol?
[(2R,3S,4R,5S,6S)-6-ethynyl-4,5-dimethyl-3-tri(propan-2-yl)silyloxyoxan-2-yl]methanol has a molecular weight of 340.58 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5S,6S)-6-ethynyl-4,5-dimethyl-3-tri(propan-2-yl)silyloxyoxan-2-yl]methanol is sourced from PubChem (CID 90365476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).