(2R)-2-hydroxy-5-trimethylsilylpent-4-ynal

C8H14O2Si — CID 89079207

IUPAC(2R)-2-hydroxy-5-trimethylsilylpent-4-ynal
SMILESC[Si](C)(C)C#CC[C@@H](O)C=O
InChIInChI=1S/C8H14O2Si/c1-11(2,3)6-4-5-8(10)7-9/h7-8,10H,5H2,1-3H3/t8-/m1/s1
InChIKeyILCNXGWXGDHOSH-MRVPVSSYSA-N
MW170.28 g/mol
LogP0.82
Rot. Bonds2

About (2R)-2-hydroxy-5-trimethylsilylpent-4-ynal

(2R)-2-hydroxy-5-trimethylsilylpent-4-ynal (PubChem CID 89079207) has the molecular formula C8H14O2Si and a molecular weight of 170.28 g/mol. Its IUPAC name is (2R)-2-hydroxy-5-trimethylsilylpent-4-ynal.

Molecular Properties

Compound Name(2R)-2-hydroxy-5-trimethylsilylpent-4-ynal
PubChem CID89079207
Molecular FormulaC8H14O2Si
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Name(2R)-2-hydroxy-5-trimethylsilylpent-4-ynal
SMILESC[Si](C)(C)C#CC[C@@H](O)C=O
InChIInChI=1S/C8H14O2Si/c1-11(2,3)6-4-5-8(10)7-9/h7-8,10H,5H2,1-3H3/t8-/m1/s1
InChIKeyILCNXGWXGDHOSH-MRVPVSSYSA-N
XLogP0.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-trimethylsilylpent-4-yn-2-ol
CID 11073669
(Z)-8-trimethylsilyloct-3-en-7-yne-1,5-diol
CID 10488754
(3S)-2-methyl-6-trimethylsilylhex-5-yn-3-ol
CID 130831196
2-methyl-5-trimethylsilylpent-4-ynoic acid
CID 102228777
(3R)-3-hydroxy-6-trimethylsilylhex-5-ynenitrile
CID 76764362
2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal
CID 58461604
(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-7-trimethylsilylhept-6-ynal
CID 11067797
(E,4S,5S)-4-methoxy-1-trimethylsilylnon-7-en-1-yn-5-ol
CID 11481868
diethyl 2-(3-trimethylsilylprop-2-ynyl)propanedioate
CID 11460565
(4S)-1-trimethylsilyldec-9-en-1-yn-4-ol
CID 11736254
[(2R)-5-trimethylsilylpent-4-yn-2-yl] carbamate
CID 175398792
(4R)-1-trimethylsilyltridec-1-yn-4-ol
CID 139667273

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-5-trimethylsilylpent-4-ynal?
The IUPAC name of (2R)-2-hydroxy-5-trimethylsilylpent-4-ynal (CID 89079207) is (2R)-2-hydroxy-5-trimethylsilylpent-4-ynal.
What is the SMILES notation for (2R)-2-hydroxy-5-trimethylsilylpent-4-ynal?
The canonical SMILES for (2R)-2-hydroxy-5-trimethylsilylpent-4-ynal is C[Si](C)(C)C#CC[C@@H](O)C=O.
What is the InChIKey of (2R)-2-hydroxy-5-trimethylsilylpent-4-ynal?
The InChIKey is ILCNXGWXGDHOSH-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H14O2Si/c1-11(2,3)6-4-5-8(10)7-9/h7-8,10H,5H2,1-3H3/t8-/m1/s1.
What are the key properties of (2R)-2-hydroxy-5-trimethylsilylpent-4-ynal?
(2R)-2-hydroxy-5-trimethylsilylpent-4-ynal has a molecular weight of 170.28 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-5-trimethylsilylpent-4-ynal is sourced from PubChem (CID 89079207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).