3-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pent-4-yn-2-ol

C14H28O2Si — CID 135036869

IUPAC3-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pent-4-yn-2-ol
SMILESC#CC(C(C)O)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-9-13(12(3)15)11(2)10-16-17(7,8)14(4,5)6/h1,11-13,15H,10H2,2-8H3/t11-,12?,13?/m0/s1
InChIKeyMGUJSDVBNIBTKB-HIFPTAJRSA-N
MW256.46 g/mol
LogP3.27
Rot. Bonds5

About 3-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pent-4-yn-2-ol

3-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pent-4-yn-2-ol (PubChem CID 135036869) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is 3-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pent-4-yn-2-ol.

Molecular Properties

Compound Name3-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pent-4-yn-2-ol
PubChem CID135036869
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name3-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pent-4-yn-2-ol
SMILESC#CC(C(C)O)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-9-13(12(3)15)11(2)10-16-17(7,8)14(4,5)6/h1,11-13,15H,10H2,2-8H3/t11-,12?,13?/m0/s1
InChIKeyMGUJSDVBNIBTKB-HIFPTAJRSA-N
XLogP3.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-yn-3-ol
CID 10682541
4-[Tert-butyl(dimethyl)silyl]oxy-2-methylpentan-1-ol
CID 11107222
9-[Tert-butyl(dimethyl)silyl]oxy-3-methylundeca-1,5,10-triyn-4-ol
CID 11266709
(3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-yn-3-ol
CID 11499711
(2S,3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-yn-3-ol
CID 11736971
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentan-1-ol
CID 45102972
(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylhex-5-yn-1-ol
CID 134848527
lithium (2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-yn-3-ol
CID 134892553
(2R,3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-5-yn-3-ol
CID 135079167
(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentan-1-ol
CID 10944330
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-5-yn-1-ol
CID 11436454
(2S,3R)-2-methyl-6-trimethylsilyl-1-tritiooxyhex-5-yn-3-ol
CID 58581959

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pent-4-yn-2-ol?
The IUPAC name of 3-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pent-4-yn-2-ol (CID 135036869) is 3-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pent-4-yn-2-ol.
What is the SMILES notation for 3-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pent-4-yn-2-ol?
The canonical SMILES for 3-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pent-4-yn-2-ol is C#CC(C(C)O)[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pent-4-yn-2-ol?
The InChIKey is MGUJSDVBNIBTKB-HIFPTAJRSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-9-13(12(3)15)11(2)10-16-17(7,8)14(4,5)6/h1,11-13,15H,10H2,2-8H3/t11-,12?,13?/m0/s1.
What are the key properties of 3-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pent-4-yn-2-ol?
3-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pent-4-yn-2-ol has a molecular weight of 256.46 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pent-4-yn-2-ol is sourced from PubChem (CID 135036869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).