(2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoic acid

C10H20O3Si — CID 10822622

IUPAC(2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoic acid
SMILESC=C[C@@H](O)[C@@H](C(=O)O)[C@@H](C)[Si](C)(C)C
InChIInChI=1S/C10H20O3Si/c1-6-8(11)9(10(12)13)7(2)14(3,4)5/h6-9,11H,1H2,2-5H3,(H,12,13)/t7-,8-,9+/m1/s1
InChIKeyCQNFJALPHZUHFL-HLTSFMKQSA-N
MW216.35 g/mol
LogP1.96
Rot. Bonds5

About (2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoic acid

(2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoic acid (PubChem CID 10822622) has the molecular formula C10H20O3Si and a molecular weight of 216.35 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoic acid.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoic acid
PubChem CID10822622
Molecular FormulaC10H20O3Si
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Name(2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoic acid
SMILESC=C[C@@H](O)[C@@H](C(=O)O)[C@@H](C)[Si](C)(C)C
InChIInChI=1S/C10H20O3Si/c1-6-8(11)9(10(12)13)7(2)14(3,4)5/h6-9,11H,1H2,2-5H3,(H,12,13)/t7-,8-,9+/m1/s1
InChIKeyCQNFJALPHZUHFL-HLTSFMKQSA-N
XLogP1.96
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-ethyl-3-hydroxypent-4-enoate
CID 18539688
(S)-3-((tert-Butyldimethylsilyl)oxy)pent-4-enoic acid
CID 24938600
(E,2R,3S)-3-hydroxy-2-[(1S)-1-trimethylsilylethyl]hex-4-enoic acid
CID 134887340
(E,2R,3S)-3-hydroxy-2-[(1S)-2-methyl-1-trimethylsilylpropyl]hex-4-enoic acid
CID 134887341
Ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxypent-4-enoate
CID 138975864
(E,2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]hex-4-enoic acid
CID 10513667
prop-2-enyl (E,2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]hex-4-enoate
CID 10707199
Tert-butyl 3-hydroxy-2-prop-2-enylpent-4-enoate
CID 23372209
3-[Tert-butyl(dimethyl)silyl]oxypent-4-enoic acid
CID 44614149
(3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoic acid
CID 66561844
(R)-2-[(R)-1-(tert-Butyl-dimethyl-silanyloxy)-ethyl]-but-3-enoic acid
CID 86709657
(2S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]pent-4-enoic acid
CID 87972885

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoic acid?
The IUPAC name of (2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoic acid (CID 10822622) is (2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoic acid.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoic acid?
The canonical SMILES for (2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoic acid is C=C[C@@H](O)[C@@H](C(=O)O)[C@@H](C)[Si](C)(C)C.
What is the InChIKey of (2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoic acid?
The InChIKey is CQNFJALPHZUHFL-HLTSFMKQSA-N. The full InChI is InChI=1S/C10H20O3Si/c1-6-8(11)9(10(12)13)7(2)14(3,4)5/h6-9,11H,1H2,2-5H3,(H,12,13)/t7-,8-,9+/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoic acid?
(2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoic acid has a molecular weight of 216.35 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoic acid is sourced from PubChem (CID 10822622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).