(Z,3R)-6-methoxy-4-methoxycarbonyl-5-methyl-6-oxo-3-triethylsilyloxyhex-4-enoic acid

C16H28O7Si — CID 101482823

IUPAC(Z,3R)-6-methoxy-4-methoxycarbonyl-5-methyl-6-oxo-3-triethylsilyloxyhex-4-enoic acid
SMILESCC[Si](CC)(CC)O[C@H](CC(=O)O)/C(C(=O)OC)=C(\C)C(=O)OC
InChIInChI=1S/C16H28O7Si/c1-7-24(8-2,9-3)23-12(10-13(17)18)14(16(20)22-6)11(4)15(19)21-5/h12H,7-10H2,1-6H3,(H,17,18)/b14-11-/t12-/m1/s1
InChIKeyJZYBQSVWSHXGEO-POKNLVKOSA-N
MW360.48 g/mol
LogP2.51
Rot. Bonds10

About (Z,3R)-6-methoxy-4-methoxycarbonyl-5-methyl-6-oxo-3-triethylsilyloxyhex-4-enoic acid

(Z,3R)-6-methoxy-4-methoxycarbonyl-5-methyl-6-oxo-3-triethylsilyloxyhex-4-enoic acid (PubChem CID 101482823) has the molecular formula C16H28O7Si and a molecular weight of 360.48 g/mol. Its IUPAC name is (Z,3R)-6-methoxy-4-methoxycarbonyl-5-methyl-6-oxo-3-triethylsilyloxyhex-4-enoic acid.

Molecular Properties

Compound Name(Z,3R)-6-methoxy-4-methoxycarbonyl-5-methyl-6-oxo-3-triethylsilyloxyhex-4-enoic acid
PubChem CID101482823
Molecular FormulaC16H28O7Si
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name(Z,3R)-6-methoxy-4-methoxycarbonyl-5-methyl-6-oxo-3-triethylsilyloxyhex-4-enoic acid
SMILESCC[Si](CC)(CC)O[C@H](CC(=O)O)/C(C(=O)OC)=C(\C)C(=O)OC
InChIInChI=1S/C16H28O7Si/c1-7-24(8-2,9-3)23-12(10-13(17)18)14(16(20)22-6)11(4)15(19)21-5/h12H,7-10H2,1-6H3,(H,17,18)/b14-11-/t12-/m1/s1
InChIKeyJZYBQSVWSHXGEO-POKNLVKOSA-N
XLogP2.51
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (Z,3R)-6-methoxy-4-methoxycarbonyl-5-methyl-6-oxo-3-triethylsilyloxyhex-4-enoic acid with MolForge

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Launch Full Analysis

Related Compounds

(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methyl-2,5-dioxofuran-3-yl)propanoic acid
CID 11012477
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methyl-2,5-dioxofuran-3-yl)propanoate
CID 134841406
trimethyl (Z,3R)-3-hydroxy-1-methylbut-1-ene-1,2,4-tricarboxylate
CID 10015451
4-O-tert-butyl 1-O-ethyl (Z)-3-[(1R)-1-[diethyl(propan-2-yl)silyl]oxy-3-hydroxypropyl]-2-methylbut-2-enedioate
CID 11112508
(Z,3R)-3-[diethyl(propan-2-yl)silyl]oxy-6-ethoxy-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxohex-4-enoic acid
CID 11144480
1-O-ethyl 5-O-methyl (2E)-2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylidene]pentanedioate
CID 11198743
3-[Tert-butyl(dimethyl)silyl]oxy-3-(4-methyl-2,5-dioxofuran-3-yl)propanoic acid
CID 85366303
diethyl (Z)-2-[(1R)-1,3-bis(triethylsilyloxy)propyl]-3-methylbut-2-enedioate
CID 101683913
diethyl (Z)-2-[(1R)-3-hydroxy-1-triethylsilyloxypropyl]-3-methylbut-2-enedioate
CID 101683914
1-O,2-O-diethyl 4-O-methyl (Z,3R)-3-hydroxy-1-methylbut-1-ene-1,2,4-tricarboxylate
CID 101683915
methyl (3R)-3-[dimethyl(propan-2-yl)silyl]oxy-3-(4-methyl-2,5-dioxofuran-3-yl)propanoate
CID 101683917

Frequently Asked Questions

What is the IUPAC name of (Z,3R)-6-methoxy-4-methoxycarbonyl-5-methyl-6-oxo-3-triethylsilyloxyhex-4-enoic acid?
The IUPAC name of (Z,3R)-6-methoxy-4-methoxycarbonyl-5-methyl-6-oxo-3-triethylsilyloxyhex-4-enoic acid (CID 101482823) is (Z,3R)-6-methoxy-4-methoxycarbonyl-5-methyl-6-oxo-3-triethylsilyloxyhex-4-enoic acid.
What is the SMILES notation for (Z,3R)-6-methoxy-4-methoxycarbonyl-5-methyl-6-oxo-3-triethylsilyloxyhex-4-enoic acid?
The canonical SMILES for (Z,3R)-6-methoxy-4-methoxycarbonyl-5-methyl-6-oxo-3-triethylsilyloxyhex-4-enoic acid is CC[Si](CC)(CC)O[C@H](CC(=O)O)/C(C(=O)OC)=C(\C)C(=O)OC.
What is the InChIKey of (Z,3R)-6-methoxy-4-methoxycarbonyl-5-methyl-6-oxo-3-triethylsilyloxyhex-4-enoic acid?
The InChIKey is JZYBQSVWSHXGEO-POKNLVKOSA-N. The full InChI is InChI=1S/C16H28O7Si/c1-7-24(8-2,9-3)23-12(10-13(17)18)14(16(20)22-6)11(4)15(19)21-5/h12H,7-10H2,1-6H3,(H,17,18)/b14-11-/t12-/m1/s1.
What are the key properties of (Z,3R)-6-methoxy-4-methoxycarbonyl-5-methyl-6-oxo-3-triethylsilyloxyhex-4-enoic acid?
(Z,3R)-6-methoxy-4-methoxycarbonyl-5-methyl-6-oxo-3-triethylsilyloxyhex-4-enoic acid has a molecular weight of 360.48 g/mol, XLogP of 2.51, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3R)-6-methoxy-4-methoxycarbonyl-5-methyl-6-oxo-3-triethylsilyloxyhex-4-enoic acid is sourced from PubChem (CID 101482823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).