(2R,3S,4S,5S)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yne-2,4-diol

C19H38O3Si — CID 134934598

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

About (2R,3S,4S,5S)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yne-2,4-diol

(2R,3S,4S,5S)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yne-2,4-diol (PubChem CID 134934598) has the molecular formula C19H38O3Si and a molecular weight of 342.60 g/mol. Its IUPAC name is (2R,3S,4S,5S)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yne-2,4-diol.

Molecular Properties

Compound Name(2R,3S,4S,5S)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yne-2,4-diol
PubChem CID134934598
Molecular FormulaC19H38O3Si
Molecular Weight342.60 g/mol
Exact Mass342.26
IUPAC Name(2R,3S,4S,5S)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yne-2,4-diol
SMILESCC#C[C@H](C)[C@H](O)[C@H](C)[C@@H](O)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H38O3Si/c1-10-11-16(8)19(21)17(9)18(20)12-22-23(13(2)3,14(4)5)15(6)7/h13-21H,12H2,1-9H3/t16-,17+,18-,19-/m0/s1
InChIKeyRZYSLCOQBCKOMG-RDGPPVDQSA-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'}

Analyze (2R,3S,4S,5S)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yne-2,4-diol with MolForge

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Related Compounds

(2R,3S,4S,5R)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yne-2,4-diol
CID 11089168
(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1-trimethylsilyloct-1-yn-3-ol
CID 11393738
(2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptane-3,5-diol
CID 11403559
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1-trimethylsilyloct-1-yn-3-ol
CID 11416604
(2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyloctane-3,5-diol
CID 12020419
(2S,3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptane-2,3-diol
CID 21771973
(2R,3R,4S,5R)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yne-2,4-diol
CID 101369900
(2R,3S,4R,5S)-3-methyl-4-prop-1-ynyl-1-tri(propan-2-yl)silyloxyhexane-2,5-diol
CID 101369902
(3R,4R,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethyl-1-trimethylsilylhept-1-yn-3-ol
CID 101756872
(2R,3R,4S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-tri(propan-2-yl)silyloxyethyl]-4-methyl-6-trimethylsilylhex-5-yne-1,3-diol
CID 102143529
(3R,4R,5S,6R)-5-ethyl-6-triethylsilyloxyoctane-3,4-diol
CID 102278788
(3S,4S,5S,6R)-5-ethyl-6-triethylsilyloxyoctane-3,4-diol
CID 102278790

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yne-2,4-diol?
The IUPAC name of (2R,3S,4S,5S)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yne-2,4-diol (CID 134934598) is (2R,3S,4S,5S)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yne-2,4-diol.
What is the SMILES notation for (2R,3S,4S,5S)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yne-2,4-diol?
The canonical SMILES for (2R,3S,4S,5S)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yne-2,4-diol is CC#C[C@H](C)[C@H](O)[C@H](C)[C@@H](O)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (2R,3S,4S,5S)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yne-2,4-diol?
The InChIKey is RZYSLCOQBCKOMG-RDGPPVDQSA-N. The full InChI is InChI=1S/C19H38O3Si/c1-10-11-16(8)19(21)17(9)18(20)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,4S,5S)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yne-2,4-diol?
(2R,3S,4S,5S)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yne-2,4-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,4S,5S)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yne-2,4-diol is sourced from PubChem (CID 134934598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).