methyl (Z,5S)-5-hydroxy-5-(4-methoxyphenyl)-3-trimethylsilyloxypent-2-enoate

C16H24O5Si — CID 134930629

IUPACmethyl (Z,5S)-5-hydroxy-5-(4-methoxyphenyl)-3-trimethylsilyloxypent-2-enoate
SMILESCOC(=O)/C=C(/C[C@H](O)c1ccc(OC)cc1)O[Si](C)(C)C
InChIInChI=1S/C16H24O5Si/c1-19-13-8-6-12(7-9-13)15(17)10-14(11-16(18)20-2)21-22(3,4)5/h6-9,11,15,17H,10H2,1-5H3/b14-11-/t15-/m0/s1
InChIKeyIOFDAKSOEYVLQW-SZGZABIGSA-N
MW324.45 g/mol
LogP3.03
Rot. Bonds7

About methyl (Z,5S)-5-hydroxy-5-(4-methoxyphenyl)-3-trimethylsilyloxypent-2-enoate

methyl (Z,5S)-5-hydroxy-5-(4-methoxyphenyl)-3-trimethylsilyloxypent-2-enoate (PubChem CID 134930629) has the molecular formula C16H24O5Si and a molecular weight of 324.45 g/mol. Its IUPAC name is methyl (Z,5S)-5-hydroxy-5-(4-methoxyphenyl)-3-trimethylsilyloxypent-2-enoate.

Molecular Properties

Compound Namemethyl (Z,5S)-5-hydroxy-5-(4-methoxyphenyl)-3-trimethylsilyloxypent-2-enoate
PubChem CID134930629
Molecular FormulaC16H24O5Si
Molecular Weight324.45 g/mol
Exact Mass324.14
IUPAC Namemethyl (Z,5S)-5-hydroxy-5-(4-methoxyphenyl)-3-trimethylsilyloxypent-2-enoate
SMILESCOC(=O)/C=C(/C[C@H](O)c1ccc(OC)cc1)O[Si](C)(C)C
InChIInChI=1S/C16H24O5Si/c1-19-13-8-6-12(7-9-13)15(17)10-14(11-16(18)20-2)21-22(3,4)5/h6-9,11,15,17H,10H2,1-5H3/b14-11-/t15-/m0/s1
InChIKeyIOFDAKSOEYVLQW-SZGZABIGSA-N
XLogP3.03
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (Z,5S)-5-hydroxy-5-(4-methoxyphenyl)-3-trimethylsilyloxypent-2-enoate with MolForge

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Related Compounds

4-hydroxy-4-(4-methoxyphenyl)-2-oxobutanoic acid
CID 102408394
methyl (Z)-5-hydroxy-3-methyl-5-phenylpent-2-enoate
CID 101073469
(E,1S)-1-hydroxy-1-(4-methoxyphenyl)oct-4-en-3-one
CID 102215273
1-diethoxyphosphoryl-4-hydroxy-4-(4-methoxyphenyl)butan-2-one
CID 14340418
4-hydroxy-4-(4-methoxyphenyl)butanoic acid
CID 4193826
1-(4-methoxyphenyl)(213C)ethane-1,2-diol
CID 101170566
[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea
CID 137321016
CID 88961149
CID 88961149
(1R)-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-ol
CID 11572126
[2-hydroxy-2-(4-methoxyphenyl)ethyl] acetate
CID 13275342
1-(3,4-dimethoxyphenyl)-4-hydroxy-4-(4-methoxyphenyl)butan-2-one
CID 10449310
(E)-4-[1-(4-methoxyphenyl)ethylamino]-3-methylbut-2-enoic acid
CID 103256077

Frequently Asked Questions

What is the IUPAC name of methyl (Z,5S)-5-hydroxy-5-(4-methoxyphenyl)-3-trimethylsilyloxypent-2-enoate?
The IUPAC name of methyl (Z,5S)-5-hydroxy-5-(4-methoxyphenyl)-3-trimethylsilyloxypent-2-enoate (CID 134930629) is methyl (Z,5S)-5-hydroxy-5-(4-methoxyphenyl)-3-trimethylsilyloxypent-2-enoate.
What is the SMILES notation for methyl (Z,5S)-5-hydroxy-5-(4-methoxyphenyl)-3-trimethylsilyloxypent-2-enoate?
The canonical SMILES for methyl (Z,5S)-5-hydroxy-5-(4-methoxyphenyl)-3-trimethylsilyloxypent-2-enoate is COC(=O)/C=C(/C[C@H](O)c1ccc(OC)cc1)O[Si](C)(C)C.
What is the InChIKey of methyl (Z,5S)-5-hydroxy-5-(4-methoxyphenyl)-3-trimethylsilyloxypent-2-enoate?
The InChIKey is IOFDAKSOEYVLQW-SZGZABIGSA-N. The full InChI is InChI=1S/C16H24O5Si/c1-19-13-8-6-12(7-9-13)15(17)10-14(11-16(18)20-2)21-22(3,4)5/h6-9,11,15,17H,10H2,1-5H3/b14-11-/t15-/m0/s1.
What are the key properties of methyl (Z,5S)-5-hydroxy-5-(4-methoxyphenyl)-3-trimethylsilyloxypent-2-enoate?
methyl (Z,5S)-5-hydroxy-5-(4-methoxyphenyl)-3-trimethylsilyloxypent-2-enoate has a molecular weight of 324.45 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z,5S)-5-hydroxy-5-(4-methoxyphenyl)-3-trimethylsilyloxypent-2-enoate is sourced from PubChem (CID 134930629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).