(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylpent-4-yn-2-ol

C13H26O2Si — CID 10857669

IUPAC(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylpent-4-yn-2-ol
SMILESC#C[C@@](C)(CO[Si](C)(C)C(C)(C)C)[C@@H](C)O
InChIInChI=1S/C13H26O2Si/c1-9-13(6,11(2)14)10-15-16(7,8)12(3,4)5/h1,11,14H,10H2,2-8H3/t11-,13+/m1/s1
InChIKeyIAOKPVUPOTWILS-YPMHNXCESA-N
MW242.43 g/mol
LogP3.03
Rot. Bonds4

About (2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylpent-4-yn-2-ol

(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylpent-4-yn-2-ol (PubChem CID 10857669) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is (2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylpent-4-yn-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylpent-4-yn-2-ol
PubChem CID10857669
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylpent-4-yn-2-ol
SMILESC#C[C@@](C)(CO[Si](C)(C)C(C)(C)C)[C@@H](C)O
InChIInChI=1S/C13H26O2Si/c1-9-13(6,11(2)14)10-15-16(7,8)12(3,4)5/h1,11,14H,10H2,2-8H3/t11-,13+/m1/s1
InChIKeyIAOKPVUPOTWILS-YPMHNXCESA-N
XLogP3.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.03
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

1-Pentyn-3-ol, 4,4-dimethyl-1-(trimethylsilyl)-
CID 12494252
(3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-yn-1-ol
CID 15689854
1-[Tert-butyl(dimethyl)silyl]oxypent-4-yn-2-ol
CID 87178346
5-[Tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 87256832
1-Pentyn-3-ol, 5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 10242363
2,2-Dimethyl-6-trimethylsilylnon-4-yn-3-ol
CID 10105719
(2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-yn-3-ol
CID 10682541
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)-5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 15363416
(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-yn-2-ol
CID 24881691

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylpent-4-yn-2-ol?
The IUPAC name of (2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylpent-4-yn-2-ol (CID 10857669) is (2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylpent-4-yn-2-ol.
What is the SMILES notation for (2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylpent-4-yn-2-ol?
The canonical SMILES for (2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylpent-4-yn-2-ol is C#C[C@@](C)(CO[Si](C)(C)C(C)(C)C)[C@@H](C)O.
What is the InChIKey of (2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylpent-4-yn-2-ol?
The InChIKey is IAOKPVUPOTWILS-YPMHNXCESA-N. The full InChI is InChI=1S/C13H26O2Si/c1-9-13(6,11(2)14)10-15-16(7,8)12(3,4)5/h1,11,14H,10H2,2-8H3/t11-,13+/m1/s1.
What are the key properties of (2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylpent-4-yn-2-ol?
(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylpent-4-yn-2-ol has a molecular weight of 242.43 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylpent-4-yn-2-ol is sourced from PubChem (CID 10857669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).