(E,2S,3R)-5-cyclohexyl-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoic acid

C16H30O3Si — CID 10780449

IUPAC(E,2S,3R)-5-cyclohexyl-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoic acid
SMILESC[C@H]([C@H](C(=O)O)[C@H](O)/C=C/C1CCCCC1)[Si](C)(C)C
InChIInChI=1S/C16H30O3Si/c1-12(20(2,3)4)15(16(18)19)14(17)11-10-13-8-6-5-7-9-13/h10-15,17H,5-9H2,1-4H3,(H,18,19)/b11-10+/t12-,14-,15+/m1/s1
InChIKeyZFHVWSVAHHOYTK-XMXAMTADSA-N
MW298.50 g/mol
LogP3.91
Rot. Bonds6

About (E,2S,3R)-5-cyclohexyl-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoic acid

(E,2S,3R)-5-cyclohexyl-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoic acid (PubChem CID 10780449) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is (E,2S,3R)-5-cyclohexyl-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoic acid.

Molecular Properties

Compound Name(E,2S,3R)-5-cyclohexyl-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoic acid
PubChem CID10780449
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Name(E,2S,3R)-5-cyclohexyl-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoic acid
SMILESC[C@H]([C@H](C(=O)O)[C@H](O)/C=C/C1CCCCC1)[Si](C)(C)C
InChIInChI=1S/C16H30O3Si/c1-12(20(2,3)4)15(16(18)19)14(17)11-10-13-8-6-5-7-9-13/h10-15,17H,5-9H2,1-4H3,(H,18,19)/b11-10+/t12-,14-,15+/m1/s1
InChIKeyZFHVWSVAHHOYTK-XMXAMTADSA-N
XLogP3.91
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 53.91
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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Frequently Asked Questions

What is the IUPAC name of (E,2S,3R)-5-cyclohexyl-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoic acid?
The IUPAC name of (E,2S,3R)-5-cyclohexyl-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoic acid (CID 10780449) is (E,2S,3R)-5-cyclohexyl-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoic acid.
What is the SMILES notation for (E,2S,3R)-5-cyclohexyl-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoic acid?
The canonical SMILES for (E,2S,3R)-5-cyclohexyl-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoic acid is C[C@H]([C@H](C(=O)O)[C@H](O)/C=C/C1CCCCC1)[Si](C)(C)C.
What is the InChIKey of (E,2S,3R)-5-cyclohexyl-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoic acid?
The InChIKey is ZFHVWSVAHHOYTK-XMXAMTADSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-12(20(2,3)4)15(16(18)19)14(17)11-10-13-8-6-5-7-9-13/h10-15,17H,5-9H2,1-4H3,(H,18,19)/b11-10+/t12-,14-,15+/m1/s1.
What are the key properties of (E,2S,3R)-5-cyclohexyl-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoic acid?
(E,2S,3R)-5-cyclohexyl-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoic acid has a molecular weight of 298.50 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,3R)-5-cyclohexyl-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoic acid is sourced from PubChem (CID 10780449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).