prop-2-enyl (E,2S,3R)-5-cyclohexyl-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoate

C19H34O3Si — CID 10664778

IUPACprop-2-enyl (E,2S,3R)-5-cyclohexyl-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoate
SMILESC=CCOC(=O)[C@H]([C@H](O)/C=C/C1CCCCC1)[C@@H](C)[Si](C)(C)C
InChIInChI=1S/C19H34O3Si/c1-6-14-22-19(21)18(15(2)23(3,4)5)17(20)13-12-16-10-8-7-9-11-16/h6,12-13,15-18,20H,1,7-11,14H2,2-5H3/b13-12+/t15-,17-,18+/m1/s1
InChIKeyBZJDFWKFHXRAAQ-ILVVHCEBSA-N
MW338.56 g/mol
LogP4.56
Rot. Bonds8

About prop-2-enyl (E,2S,3R)-5-cyclohexyl-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoate

prop-2-enyl (E,2S,3R)-5-cyclohexyl-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoate (PubChem CID 10664778) has the molecular formula C19H34O3Si and a molecular weight of 338.56 g/mol. Its IUPAC name is prop-2-enyl (E,2S,3R)-5-cyclohexyl-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoate.

Molecular Properties

Compound Nameprop-2-enyl (E,2S,3R)-5-cyclohexyl-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoate
PubChem CID10664778
Molecular FormulaC19H34O3Si
Molecular Weight338.56 g/mol
Exact Mass338.23
IUPAC Nameprop-2-enyl (E,2S,3R)-5-cyclohexyl-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoate
SMILESC=CCOC(=O)[C@H]([C@H](O)/C=C/C1CCCCC1)[C@@H](C)[Si](C)(C)C
InChIInChI=1S/C19H34O3Si/c1-6-14-22-19(21)18(15(2)23(3,4)5)17(20)13-12-16-10-8-7-9-11-16/h6,12-13,15-18,20H,1,7-11,14H2,2-5H3/b13-12+/t15-,17-,18+/m1/s1
InChIKeyBZJDFWKFHXRAAQ-ILVVHCEBSA-N
XLogP4.56
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.56
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(E,2R,3S)-5-cyclohexyl-3-hydroxy-2-[(1S)-1-trimethylsilylethyl]pent-4-enoic acid
CID 134887354
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
[(2E,8Z)-6-ethenyl-10-(3-hydroxybutanoyloxy)deca-2,8-dienyl] 3-hydroxybutanoate
CID 141686222
ethyl (2Z)-2-(cyclohexylmethylidene)-3-hydroxypent-4-enoate
CID 15701309
tert-butyl (E,2S)-2-[(E,1S)-1-hydroxyhex-2-enyl]-2-(trimethylsilylmethyl)dec-3-enoate
CID 101246567

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (E,2S,3R)-5-cyclohexyl-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoate?
The IUPAC name of prop-2-enyl (E,2S,3R)-5-cyclohexyl-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoate (CID 10664778) is prop-2-enyl (E,2S,3R)-5-cyclohexyl-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoate.
What is the SMILES notation for prop-2-enyl (E,2S,3R)-5-cyclohexyl-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoate?
The canonical SMILES for prop-2-enyl (E,2S,3R)-5-cyclohexyl-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoate is C=CCOC(=O)[C@H]([C@H](O)/C=C/C1CCCCC1)[C@@H](C)[Si](C)(C)C.
What is the InChIKey of prop-2-enyl (E,2S,3R)-5-cyclohexyl-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoate?
The InChIKey is BZJDFWKFHXRAAQ-ILVVHCEBSA-N. The full InChI is InChI=1S/C19H34O3Si/c1-6-14-22-19(21)18(15(2)23(3,4)5)17(20)13-12-16-10-8-7-9-11-16/h6,12-13,15-18,20H,1,7-11,14H2,2-5H3/b13-12+/t15-,17-,18+/m1/s1.
What are the key properties of prop-2-enyl (E,2S,3R)-5-cyclohexyl-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoate?
prop-2-enyl (E,2S,3R)-5-cyclohexyl-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoate has a molecular weight of 338.56 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (E,2S,3R)-5-cyclohexyl-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoate is sourced from PubChem (CID 10664778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).