methyl (Z)-2-[5-[2-[dimethyl(propyl)silyl]ethynyl]-2-methylphenoxy]-4-hydroxybut-2-enoate

C19H26O4Si — CID 159057490

IUPACmethyl (Z)-2-[5-[2-[dimethyl(propyl)silyl]ethynyl]-2-methylphenoxy]-4-hydroxybut-2-enoate
SMILESCCC[Si](C)(C)C#Cc1ccc(C)c(O/C(=C\CO)C(=O)OC)c1
InChIInChI=1S/C19H26O4Si/c1-6-12-24(4,5)13-10-16-8-7-15(2)18(14-16)23-17(9-11-20)19(21)22-3/h7-9,14,20H,6,11-12H2,1-5H3/b17-9-
InChIKeyJYASEUCSNFEAFY-MFOYZWKCSA-N
MW346.50 g/mol
LogP3.43
Rot. Bonds6

About methyl (Z)-2-[5-[2-[dimethyl(propyl)silyl]ethynyl]-2-methylphenoxy]-4-hydroxybut-2-enoate

methyl (Z)-2-[5-[2-[dimethyl(propyl)silyl]ethynyl]-2-methylphenoxy]-4-hydroxybut-2-enoate (PubChem CID 159057490) has the molecular formula C19H26O4Si and a molecular weight of 346.50 g/mol. Its IUPAC name is methyl (Z)-2-[5-[2-[dimethyl(propyl)silyl]ethynyl]-2-methylphenoxy]-4-hydroxybut-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-[5-[2-[dimethyl(propyl)silyl]ethynyl]-2-methylphenoxy]-4-hydroxybut-2-enoate
PubChem CID159057490
Molecular FormulaC19H26O4Si
Molecular Weight346.50 g/mol
Exact Mass346.16
IUPAC Namemethyl (Z)-2-[5-[2-[dimethyl(propyl)silyl]ethynyl]-2-methylphenoxy]-4-hydroxybut-2-enoate
SMILESCCC[Si](C)(C)C#Cc1ccc(C)c(O/C(=C\CO)C(=O)OC)c1
InChIInChI=1S/C19H26O4Si/c1-6-12-24(4,5)13-10-16-8-7-15(2)18(14-16)23-17(9-11-20)19(21)22-3/h7-9,14,20H,6,11-12H2,1-5H3/b17-9-
InChIKeyJYASEUCSNFEAFY-MFOYZWKCSA-N
XLogP3.43
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-[5-[2-[dimethyl(propyl)silyl]ethynyl]-2-methylphenoxy]-4-hydroxybut-2-enoate?
The IUPAC name of methyl (Z)-2-[5-[2-[dimethyl(propyl)silyl]ethynyl]-2-methylphenoxy]-4-hydroxybut-2-enoate (CID 159057490) is methyl (Z)-2-[5-[2-[dimethyl(propyl)silyl]ethynyl]-2-methylphenoxy]-4-hydroxybut-2-enoate.
What is the SMILES notation for methyl (Z)-2-[5-[2-[dimethyl(propyl)silyl]ethynyl]-2-methylphenoxy]-4-hydroxybut-2-enoate?
The canonical SMILES for methyl (Z)-2-[5-[2-[dimethyl(propyl)silyl]ethynyl]-2-methylphenoxy]-4-hydroxybut-2-enoate is CCC[Si](C)(C)C#Cc1ccc(C)c(O/C(=C\CO)C(=O)OC)c1.
What is the InChIKey of methyl (Z)-2-[5-[2-[dimethyl(propyl)silyl]ethynyl]-2-methylphenoxy]-4-hydroxybut-2-enoate?
The InChIKey is JYASEUCSNFEAFY-MFOYZWKCSA-N. The full InChI is InChI=1S/C19H26O4Si/c1-6-12-24(4,5)13-10-16-8-7-15(2)18(14-16)23-17(9-11-20)19(21)22-3/h7-9,14,20H,6,11-12H2,1-5H3/b17-9-.
What are the key properties of methyl (Z)-2-[5-[2-[dimethyl(propyl)silyl]ethynyl]-2-methylphenoxy]-4-hydroxybut-2-enoate?
methyl (Z)-2-[5-[2-[dimethyl(propyl)silyl]ethynyl]-2-methylphenoxy]-4-hydroxybut-2-enoate has a molecular weight of 346.50 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-[5-[2-[dimethyl(propyl)silyl]ethynyl]-2-methylphenoxy]-4-hydroxybut-2-enoate is sourced from PubChem (CID 159057490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).