(2R,3S,4R,5S)-3-methyl-4-prop-1-ynyl-1-tri(propan-2-yl)silyloxyhexane-2,5-diol

C19H38O3Si — CID 101369902

IUPAC(2R,3S,4R,5S)-3-methyl-4-prop-1-ynyl-1-tri(propan-2-yl)silyloxyhexane-2,5-diol
SMILESCC#C[C@@H]([C@H](C)[C@@H](O)CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)O
InChIInChI=1S/C19H38O3Si/c1-10-11-18(17(9)20)16(8)19(21)12-22-23(13(2)3,14(4)5)15(6)7/h13-21H,12H2,1-9H3/t16-,17-,18-,19-/m0/s1
InChIKeyFKHBQSLHGILZEY-VJANTYMQSA-N
MW342.60 g/mol
LogP4.20
Rot. Bonds9

About (2R,3S,4R,5S)-3-methyl-4-prop-1-ynyl-1-tri(propan-2-yl)silyloxyhexane-2,5-diol

(2R,3S,4R,5S)-3-methyl-4-prop-1-ynyl-1-tri(propan-2-yl)silyloxyhexane-2,5-diol (PubChem CID 101369902) has the molecular formula C19H38O3Si and a molecular weight of 342.60 g/mol. Its IUPAC name is (2R,3S,4R,5S)-3-methyl-4-prop-1-ynyl-1-tri(propan-2-yl)silyloxyhexane-2,5-diol.

Molecular Properties

Compound Name(2R,3S,4R,5S)-3-methyl-4-prop-1-ynyl-1-tri(propan-2-yl)silyloxyhexane-2,5-diol
PubChem CID101369902
Molecular FormulaC19H38O3Si
Molecular Weight342.60 g/mol
Exact Mass342.26
IUPAC Name(2R,3S,4R,5S)-3-methyl-4-prop-1-ynyl-1-tri(propan-2-yl)silyloxyhexane-2,5-diol
SMILESCC#C[C@@H]([C@H](C)[C@@H](O)CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)O
InChIInChI=1S/C19H38O3Si/c1-10-11-18(17(9)20)16(8)19(21)12-22-23(13(2)3,14(4)5)15(6)7/h13-21H,12H2,1-9H3/t16-,17-,18-,19-/m0/s1
InChIKeyFKHBQSLHGILZEY-VJANTYMQSA-N
XLogP4.20
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.60
LogP ≤ 54.20
H-Bond Donors ≤ 52
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)-3-methyl-4-prop-1-ynyl-1-tri(propan-2-yl)silyloxyhexane-2,5-diol?
The IUPAC name of (2R,3S,4R,5S)-3-methyl-4-prop-1-ynyl-1-tri(propan-2-yl)silyloxyhexane-2,5-diol (CID 101369902) is (2R,3S,4R,5S)-3-methyl-4-prop-1-ynyl-1-tri(propan-2-yl)silyloxyhexane-2,5-diol.
What is the SMILES notation for (2R,3S,4R,5S)-3-methyl-4-prop-1-ynyl-1-tri(propan-2-yl)silyloxyhexane-2,5-diol?
The canonical SMILES for (2R,3S,4R,5S)-3-methyl-4-prop-1-ynyl-1-tri(propan-2-yl)silyloxyhexane-2,5-diol is CC#C[C@@H]([C@H](C)[C@@H](O)CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)O.
What is the InChIKey of (2R,3S,4R,5S)-3-methyl-4-prop-1-ynyl-1-tri(propan-2-yl)silyloxyhexane-2,5-diol?
The InChIKey is FKHBQSLHGILZEY-VJANTYMQSA-N. The full InChI is InChI=1S/C19H38O3Si/c1-10-11-18(17(9)20)16(8)19(21)12-22-23(13(2)3,14(4)5)15(6)7/h13-21H,12H2,1-9H3/t16-,17-,18-,19-/m0/s1.
What are the key properties of (2R,3S,4R,5S)-3-methyl-4-prop-1-ynyl-1-tri(propan-2-yl)silyloxyhexane-2,5-diol?
(2R,3S,4R,5S)-3-methyl-4-prop-1-ynyl-1-tri(propan-2-yl)silyloxyhexane-2,5-diol has a molecular weight of 342.60 g/mol, XLogP of 4.20, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S)-3-methyl-4-prop-1-ynyl-1-tri(propan-2-yl)silyloxyhexane-2,5-diol is sourced from PubChem (CID 101369902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).