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

C11H22O3Si — CID 134887340

IUPAC(E,2R,3S)-3-hydroxy-2-[(1S)-1-trimethylsilylethyl]hex-4-enoic acid
SMILESC/C=C/[C@H](O)[C@H](C(=O)O)[C@H](C)[Si](C)(C)C
InChIInChI=1S/C11H22O3Si/c1-6-7-9(12)10(11(13)14)8(2)15(3,4)5/h6-10,12H,1-5H3,(H,13,14)/b7-6+/t8-,9-,10+/m0/s1
InChIKeyXJUKQHQMGHWYDV-PUAHGDKPSA-N
MW230.38 g/mol
LogP2.35
Rot. Bonds5

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

(E,2R,3S)-3-hydroxy-2-[(1S)-1-trimethylsilylethyl]hex-4-enoic acid (PubChem CID 134887340) has the molecular formula C11H22O3Si and a molecular weight of 230.38 g/mol. Its IUPAC name is (E,2R,3S)-3-hydroxy-2-[(1S)-1-trimethylsilylethyl]hex-4-enoic acid.

Molecular Properties

Compound Name(E,2R,3S)-3-hydroxy-2-[(1S)-1-trimethylsilylethyl]hex-4-enoic acid
PubChem CID134887340
Molecular FormulaC11H22O3Si
Molecular Weight230.38 g/mol
Exact Mass230.13
IUPAC Name(E,2R,3S)-3-hydroxy-2-[(1S)-1-trimethylsilylethyl]hex-4-enoic acid
SMILESC/C=C/[C@H](O)[C@H](C(=O)O)[C@H](C)[Si](C)(C)C
InChIInChI=1S/C11H22O3Si/c1-6-7-9(12)10(11(13)14)8(2)15(3,4)5/h6-10,12H,1-5H3,(H,13,14)/b7-6+/t8-,9-,10+/m0/s1
InChIKeyXJUKQHQMGHWYDV-PUAHGDKPSA-N
XLogP2.35
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.35
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'}

Analyze (E,2R,3S)-3-hydroxy-2-[(1S)-1-trimethylsilylethyl]hex-4-enoic acid with MolForge

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Related Compounds

4-Hexenoic acid, 3-hydroxy-2-methyl-, methyl ester, (R*,R*)-
CID 5368117
methyl (2S,3R,4E)-3-hydroxy-2-methylocta-4,7-dienoate
CID 134841371
(E,2R,3S)-3-hydroxy-2-[(1S)-2-methyl-1-trimethylsilylpropyl]hex-4-enoic acid
CID 134887341
(E,2R,3S)-5-cyclohexyl-3-hydroxy-2-[(1S)-1-trimethylsilylethyl]pent-4-enoic acid
CID 134887354
(E,2R,3S)-3-hydroxy-2-propyloct-4-enoic acid
CID 134888463
methyl (E,2S,3R)-3-hydroxy-2-propan-2-ylhex-4-enoate
CID 135014430
(E,2S,3S)-3-hydroxy-2-propyloct-4-enoic acid
CID 135047818
3-Hydroxy-2,6,6-trimethyl-hept-4-enoic acid
CID 5370355
(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)-2-methyl-1-trimethylsilylpropyl]hex-4-enoate
CID 10518214
prop-2-enyl (E,2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]hex-4-enoate
CID 10707199
(E,2S,3R)-5-cyclohexyl-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoic acid
CID 10780449

Frequently Asked Questions

What is the IUPAC name of (E,2R,3S)-3-hydroxy-2-[(1S)-1-trimethylsilylethyl]hex-4-enoic acid?
The IUPAC name of (E,2R,3S)-3-hydroxy-2-[(1S)-1-trimethylsilylethyl]hex-4-enoic acid (CID 134887340) is (E,2R,3S)-3-hydroxy-2-[(1S)-1-trimethylsilylethyl]hex-4-enoic acid.
What is the SMILES notation for (E,2R,3S)-3-hydroxy-2-[(1S)-1-trimethylsilylethyl]hex-4-enoic acid?
The canonical SMILES for (E,2R,3S)-3-hydroxy-2-[(1S)-1-trimethylsilylethyl]hex-4-enoic acid is C/C=C/[C@H](O)[C@H](C(=O)O)[C@H](C)[Si](C)(C)C.
What is the InChIKey of (E,2R,3S)-3-hydroxy-2-[(1S)-1-trimethylsilylethyl]hex-4-enoic acid?
The InChIKey is XJUKQHQMGHWYDV-PUAHGDKPSA-N. The full InChI is InChI=1S/C11H22O3Si/c1-6-7-9(12)10(11(13)14)8(2)15(3,4)5/h6-10,12H,1-5H3,(H,13,14)/b7-6+/t8-,9-,10+/m0/s1.
What are the key properties of (E,2R,3S)-3-hydroxy-2-[(1S)-1-trimethylsilylethyl]hex-4-enoic acid?
(E,2R,3S)-3-hydroxy-2-[(1S)-1-trimethylsilylethyl]hex-4-enoic acid has a molecular weight of 230.38 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,3S)-3-hydroxy-2-[(1S)-1-trimethylsilylethyl]hex-4-enoic acid is sourced from PubChem (CID 134887340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).