(2R,3R)-2-methyl-5-trimethylsilylpent-4-yne-1,3-diol

C9H18O2Si — CID 130659352

IUPAC(2R,3R)-2-methyl-5-trimethylsilylpent-4-yne-1,3-diol
SMILESC[C@H](CO)[C@@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C9H18O2Si/c1-8(7-10)9(11)5-6-12(2,3)4/h8-11H,7H2,1-4H3/t8-,9+/m1/s1
InChIKeySNAZIEYFDUWDQV-BDAKNGLRSA-N
MW186.33 g/mol
LogP0.86
Rot. Bonds2

About (2R,3R)-2-methyl-5-trimethylsilylpent-4-yne-1,3-diol

(2R,3R)-2-methyl-5-trimethylsilylpent-4-yne-1,3-diol (PubChem CID 130659352) has the molecular formula C9H18O2Si and a molecular weight of 186.33 g/mol. Its IUPAC name is (2R,3R)-2-methyl-5-trimethylsilylpent-4-yne-1,3-diol.

Molecular Properties

Compound Name(2R,3R)-2-methyl-5-trimethylsilylpent-4-yne-1,3-diol
PubChem CID130659352
Molecular FormulaC9H18O2Si
Molecular Weight186.33 g/mol
Exact Mass186.11
IUPAC Name(2R,3R)-2-methyl-5-trimethylsilylpent-4-yne-1,3-diol
SMILESC[C@H](CO)[C@@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C9H18O2Si/c1-8(7-10)9(11)5-6-12(2,3)4/h8-11H,7H2,1-4H3/t8-,9+/m1/s1
InChIKeySNAZIEYFDUWDQV-BDAKNGLRSA-N
XLogP0.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.33
LogP ≤ 50.86
H-Bond Donors ≤ 52
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

(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-trimethylsilylpent-1-yn-3-ol
CID 71561744
(2R,3S)-3-methyl-5-trimethylsilylpent-4-yn-2-ol
CID 14084682
(3S,4S)-1-trimethylsilylhept-6-en-1-yne-3,4-diol
CID 102124553
(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 102314561
(3R)-4-methyl-1-trimethylsilylpent-1-yn-3-ol;4-methyl-1-trimethylsilylpent-1-yn-3-one
CID 159188451
5-trimethylsilylpent-4-yn-2-ol
CID 11073669
(3S)-1-trimethylsilylhept-1-yn-3-ol
CID 12623486
2-methyl-7-trimethylsilylhept-4-en-6-yn-1-ol
CID 54245932
(2R,3R)-3-hydroxy-N-methoxy-N,2-dimethyl-5-trimethylsilylpent-4-ynamide
CID 11817385
(2S,3S)-3-methylbutane-1,2,4-triol
CID 10877097
(3R)-1-trimethylsilylpentadec-1-yn-3-ol
CID 10946406
(2S,3R)-2-methyl-2-(2-trimethylsilylethynyl)butane-1,3-diol
CID 11827016

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methyl-5-trimethylsilylpent-4-yne-1,3-diol?
The IUPAC name of (2R,3R)-2-methyl-5-trimethylsilylpent-4-yne-1,3-diol (CID 130659352) is (2R,3R)-2-methyl-5-trimethylsilylpent-4-yne-1,3-diol.
What is the SMILES notation for (2R,3R)-2-methyl-5-trimethylsilylpent-4-yne-1,3-diol?
The canonical SMILES for (2R,3R)-2-methyl-5-trimethylsilylpent-4-yne-1,3-diol is C[C@H](CO)[C@@H](O)C#C[Si](C)(C)C.
What is the InChIKey of (2R,3R)-2-methyl-5-trimethylsilylpent-4-yne-1,3-diol?
The InChIKey is SNAZIEYFDUWDQV-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H18O2Si/c1-8(7-10)9(11)5-6-12(2,3)4/h8-11H,7H2,1-4H3/t8-,9+/m1/s1.
What are the key properties of (2R,3R)-2-methyl-5-trimethylsilylpent-4-yne-1,3-diol?
(2R,3R)-2-methyl-5-trimethylsilylpent-4-yne-1,3-diol has a molecular weight of 186.33 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methyl-5-trimethylsilylpent-4-yne-1,3-diol is sourced from PubChem (CID 130659352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).