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

C8H16O2Si — CID 130806955

IUPAC(2R,3R)-5-trimethylsilylpent-4-yne-2,3-diol
SMILESC[C@@H](O)[C@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C8H16O2Si/c1-7(9)8(10)5-6-11(2,3)4/h7-10H,1-4H3/t7-,8-/m1/s1
InChIKeyAQAYEIYXNAPNCQ-HTQZYQBOSA-N
MW172.30 g/mol
LogP0.61
Rot. Bonds1

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

(2R,3R)-5-trimethylsilylpent-4-yne-2,3-diol (PubChem CID 130806955) has the molecular formula C8H16O2Si and a molecular weight of 172.30 g/mol. Its IUPAC name is (2R,3R)-5-trimethylsilylpent-4-yne-2,3-diol.

Molecular Properties

Compound Name(2R,3R)-5-trimethylsilylpent-4-yne-2,3-diol
PubChem CID130806955
Molecular FormulaC8H16O2Si
Molecular Weight172.30 g/mol
Exact Mass172.09
IUPAC Name(2R,3R)-5-trimethylsilylpent-4-yne-2,3-diol
SMILESC[C@@H](O)[C@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C8H16O2Si/c1-7(9)8(10)5-6-11(2,3)4/h7-10H,1-4H3/t7-,8-/m1/s1
InChIKeyAQAYEIYXNAPNCQ-HTQZYQBOSA-N
XLogP0.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 50.61
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

1-[(Tert-butyldimethylsilyl)oxy]but-3-yn-2-ol
CID 15261877
1-Trimethylsilylpent-1-yn-3-ol
CID 357809
5-Trimethylsilylpent-4-yn-2-ol
CID 11073669
2-([tert-Butyl(dimethyl)silyl]oxy)propan-1-ol
CID 15688070
1-Fluoro-6-trimethylsilylhex-4-yn-2-ol
CID 166443618
6-[Tert-butyl(dimethyl)silyl]oxyhex-3-yn-2-ol
CID 10561360
6-Trimethylsilylhex-5-yn-3-ol
CID 10821058
(S)-2-(tert-Butyl-dimethyl-silanyloxy)-propan-1-ol
CID 15688069
4-(Triethylsilyl)-3-butyn-2-ol
CID 24967368
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
CID 58012744
Tms-glycerol
CID 85144634
1-[Tert-butyl(dimethyl)silyl]oxypent-4-yn-2-ol
CID 87178346

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-5-trimethylsilylpent-4-yne-2,3-diol?
The IUPAC name of (2R,3R)-5-trimethylsilylpent-4-yne-2,3-diol (CID 130806955) is (2R,3R)-5-trimethylsilylpent-4-yne-2,3-diol.
What is the SMILES notation for (2R,3R)-5-trimethylsilylpent-4-yne-2,3-diol?
The canonical SMILES for (2R,3R)-5-trimethylsilylpent-4-yne-2,3-diol is C[C@@H](O)[C@H](O)C#C[Si](C)(C)C.
What is the InChIKey of (2R,3R)-5-trimethylsilylpent-4-yne-2,3-diol?
The InChIKey is AQAYEIYXNAPNCQ-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H16O2Si/c1-7(9)8(10)5-6-11(2,3)4/h7-10H,1-4H3/t7-,8-/m1/s1.
What are the key properties of (2R,3R)-5-trimethylsilylpent-4-yne-2,3-diol?
(2R,3R)-5-trimethylsilylpent-4-yne-2,3-diol has a molecular weight of 172.30 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-5-trimethylsilylpent-4-yne-2,3-diol is sourced from PubChem (CID 130806955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).