(Z)-3-methyl-4-oxo-4-(1-oxo-1-trimethylsilyloxypropan-2-yl)oxybut-2-enoic acid

C11H18O6Si — CID 174480763

IUPAC(Z)-3-methyl-4-oxo-4-(1-oxo-1-trimethylsilyloxypropan-2-yl)oxybut-2-enoic acid
SMILESC/C(=C/C(=O)O)C(=O)OC(C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C11H18O6Si/c1-7(6-9(12)13)10(14)16-8(2)11(15)17-18(3,4)5/h6,8H,1-5H3,(H,12,13)/b7-6-
InChIKeyNDDQIJSLMFRPJH-SREVYHEPSA-N
MW274.34 g/mol
LogP1.33
Rot. Bonds5

About (Z)-3-methyl-4-oxo-4-(1-oxo-1-trimethylsilyloxypropan-2-yl)oxybut-2-enoic acid

(Z)-3-methyl-4-oxo-4-(1-oxo-1-trimethylsilyloxypropan-2-yl)oxybut-2-enoic acid (PubChem CID 174480763) has the molecular formula C11H18O6Si and a molecular weight of 274.34 g/mol. Its IUPAC name is (Z)-3-methyl-4-oxo-4-(1-oxo-1-trimethylsilyloxypropan-2-yl)oxybut-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-methyl-4-oxo-4-(1-oxo-1-trimethylsilyloxypropan-2-yl)oxybut-2-enoic acid
PubChem CID174480763
Molecular FormulaC11H18O6Si
Molecular Weight274.34 g/mol
Exact Mass274.09
IUPAC Name(Z)-3-methyl-4-oxo-4-(1-oxo-1-trimethylsilyloxypropan-2-yl)oxybut-2-enoic acid
SMILESC/C(=C/C(=O)O)C(=O)OC(C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C11H18O6Si/c1-7(6-9(12)13)10(14)16-8(2)11(15)17-18(3,4)5/h6,8H,1-5H3,(H,12,13)/b7-6-
InChIKeyNDDQIJSLMFRPJH-SREVYHEPSA-N
XLogP1.33
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-methyl-4-oxo-4-propan-2-yloxybut-2-enoic acid
CID 139788321
(E)-4-[(2S)-1-(diethylamino)-1-oxopropan-2-yl]oxy-3-methyl-4-oxobut-2-enoic acid
CID 87337299
(E)-3-methyl-4-oxo-4-pentan-3-yloxybut-2-enoic acid
CID 139892068
bis(trimethylsilyl) (E)-2-methylbut-2-enedioate
CID 12598819
trimethylsilyl 2-(benzenesulfonyloxy)propanoate
CID 88550747
3-methyl-4-octan-4-yloxy-4-oxobut-2-enoic acid
CID 173398846
(Z)-4-[1-[(Z)-3-carboxy-2-methylprop-2-enoyl]oxy-1-oxohex-4-en-2-yl]oxy-3-methyl-4-oxobut-2-enoic acid
CID 88661262
3,3-di(propan-2-yloxy)prop-2-enoic acid
CID 151257258
(Z)-3-methyl-4-(2-methylprop-2-enoxy)-4-oxobut-2-enoic acid
CID 139788326
(Z)-4-[(Z)-4-[(Z)-3-carboxy-2-methylprop-2-enoyl]oxy-3-methyl-4-oxobut-2-enoyl]oxy-3-methyl-4-oxobut-2-enoic acid
CID 87894319
(E)-3-methyl-4-oxo-4-tributylsilyloxybut-2-enoic acid
CID 19079956
(E)-3-methyl-4-(oxiran-2-ylmethoxy)-4-oxobut-2-enoic acid
CID 22806703

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyl-4-oxo-4-(1-oxo-1-trimethylsilyloxypropan-2-yl)oxybut-2-enoic acid?
The IUPAC name of (Z)-3-methyl-4-oxo-4-(1-oxo-1-trimethylsilyloxypropan-2-yl)oxybut-2-enoic acid (CID 174480763) is (Z)-3-methyl-4-oxo-4-(1-oxo-1-trimethylsilyloxypropan-2-yl)oxybut-2-enoic acid.
What is the SMILES notation for (Z)-3-methyl-4-oxo-4-(1-oxo-1-trimethylsilyloxypropan-2-yl)oxybut-2-enoic acid?
The canonical SMILES for (Z)-3-methyl-4-oxo-4-(1-oxo-1-trimethylsilyloxypropan-2-yl)oxybut-2-enoic acid is C/C(=C/C(=O)O)C(=O)OC(C)C(=O)O[Si](C)(C)C.
What is the InChIKey of (Z)-3-methyl-4-oxo-4-(1-oxo-1-trimethylsilyloxypropan-2-yl)oxybut-2-enoic acid?
The InChIKey is NDDQIJSLMFRPJH-SREVYHEPSA-N. The full InChI is InChI=1S/C11H18O6Si/c1-7(6-9(12)13)10(14)16-8(2)11(15)17-18(3,4)5/h6,8H,1-5H3,(H,12,13)/b7-6-.
What are the key properties of (Z)-3-methyl-4-oxo-4-(1-oxo-1-trimethylsilyloxypropan-2-yl)oxybut-2-enoic acid?
(Z)-3-methyl-4-oxo-4-(1-oxo-1-trimethylsilyloxypropan-2-yl)oxybut-2-enoic acid has a molecular weight of 274.34 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-4-oxo-4-(1-oxo-1-trimethylsilyloxypropan-2-yl)oxybut-2-enoic acid is sourced from PubChem (CID 174480763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).