(2R)-2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloxolan-2-yl]but-3-yn-2-ol

C16H30O3Si — CID 11558462

IUPAC(2R)-2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloxolan-2-yl]but-3-yn-2-ol
SMILESC#C[C@@](C)(O)[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C(C)(C)O1
InChIInChI=1S/C16H30O3Si/c1-10-16(7,17)13-11-12(15(5,6)18-13)19-20(8,9)14(2,3)4/h1,12-13,17H,11H2,2-9H3/t12-,13-,16-/m1/s1
InChIKeyLZWCQBFKDXGHQN-XJKCOSOUSA-N
MW298.50 g/mol
LogP3.33
Rot. Bonds3

About (2R)-2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloxolan-2-yl]but-3-yn-2-ol

(2R)-2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloxolan-2-yl]but-3-yn-2-ol (PubChem CID 11558462) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is (2R)-2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloxolan-2-yl]but-3-yn-2-ol.

Molecular Properties

Compound Name(2R)-2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloxolan-2-yl]but-3-yn-2-ol
PubChem CID11558462
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Name(2R)-2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloxolan-2-yl]but-3-yn-2-ol
SMILESC#C[C@@](C)(O)[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C(C)(C)O1
InChIInChI=1S/C16H30O3Si/c1-10-16(7,17)13-11-12(15(5,6)18-13)19-20(8,9)14(2,3)4/h1,12-13,17H,11H2,2-9H3/t12-,13-,16-/m1/s1
InChIKeyLZWCQBFKDXGHQN-XJKCOSOUSA-N
XLogP3.33
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 53.33
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'}

Analyze (2R)-2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloxolan-2-yl]but-3-yn-2-ol with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-dimethyl-[[(1R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]silane
CID 87652053
tert-butyl-dimethyl-[[(1S,2R,5S)-1-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]oxy]silane
CID 102406518
cis-(1R,3S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,3-diol
CID 11791488
[(3aR,4S,5S,7S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7-ethynyl-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]oxy-tert-butyl-dimethylsilane
CID 169294468
(1S,2S,3S,4R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-3-methyl-7-oxabicyclo[2.2.1]heptan-2-ol
CID 125034530
(2S,3R,4R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylethynyl)-1-oxaspiro[2.4]heptan-7-ol
CID 101344342
[(3aR,6S,6aR)-5-ethynyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane
CID 22831851
(2R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-chloro-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
CID 71573791
2-(2,2,3-trimethylcyclobutyl)but-3-yn-2-ol
CID 154091556
tert-butyl-dimethyl-[[(5R)-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]silane
CID 89397580
(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol
CID 101111315
(5R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2,8-trimethyl-1,3,10-trioxaspiro[4.5]decan-8-ol
CID 101133967

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloxolan-2-yl]but-3-yn-2-ol?
The IUPAC name of (2R)-2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloxolan-2-yl]but-3-yn-2-ol (CID 11558462) is (2R)-2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloxolan-2-yl]but-3-yn-2-ol.
What is the SMILES notation for (2R)-2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloxolan-2-yl]but-3-yn-2-ol?
The canonical SMILES for (2R)-2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloxolan-2-yl]but-3-yn-2-ol is C#C[C@@](C)(O)[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C(C)(C)O1.
What is the InChIKey of (2R)-2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloxolan-2-yl]but-3-yn-2-ol?
The InChIKey is LZWCQBFKDXGHQN-XJKCOSOUSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-10-16(7,17)13-11-12(15(5,6)18-13)19-20(8,9)14(2,3)4/h1,12-13,17H,11H2,2-9H3/t12-,13-,16-/m1/s1.
What are the key properties of (2R)-2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloxolan-2-yl]but-3-yn-2-ol?
(2R)-2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloxolan-2-yl]but-3-yn-2-ol has a molecular weight of 298.50 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloxolan-2-yl]but-3-yn-2-ol is sourced from PubChem (CID 11558462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).