1-O-ethyl 5-O-methyl (2E)-2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylidene]pentanedioate

C17H32O5Si — CID 11198743

IUPAC1-O-ethyl 5-O-methyl (2E)-2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylidene]pentanedioate
SMILESCCOC(=O)/C(CCC(=O)OC)=C(\C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O5Si/c1-9-21-16(19)14(10-11-15(18)20-6)13(2)12-22-23(7,8)17(3,4)5/h9-12H2,1-8H3/b14-13+
InChIKeyHFOLPSYLAHTPOD-BUHFOSPRSA-N
MW344.52 g/mol
LogP3.84
Rot. Bonds8

About 1-O-ethyl 5-O-methyl (2E)-2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylidene]pentanedioate

1-O-ethyl 5-O-methyl (2E)-2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylidene]pentanedioate (PubChem CID 11198743) has the molecular formula C17H32O5Si and a molecular weight of 344.52 g/mol. Its IUPAC name is 1-O-ethyl 5-O-methyl (2E)-2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylidene]pentanedioate.

Molecular Properties

Compound Name1-O-ethyl 5-O-methyl (2E)-2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylidene]pentanedioate
PubChem CID11198743
Molecular FormulaC17H32O5Si
Molecular Weight344.52 g/mol
Exact Mass344.20
IUPAC Name1-O-ethyl 5-O-methyl (2E)-2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylidene]pentanedioate
SMILESCCOC(=O)/C(CCC(=O)OC)=C(\C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O5Si/c1-9-21-16(19)14(10-11-15(18)20-6)13(2)12-22-23(7,8)17(3,4)5/h9-12H2,1-8H3/b14-13+
InChIKeyHFOLPSYLAHTPOD-BUHFOSPRSA-N
XLogP3.84
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 53.84
H-Bond Donors ≤ 50
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

methyl (S,E)-2-(3-((tert-butyldimethylsilyl)oxy)propyl)-4-methylhex-2-enoate
CID 11045268
ethyl (2E,4E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-2,4-dienoate
CID 102150888
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methyl-2,5-dioxofuran-3-yl)propanoate
CID 134841406
(6Z)-7-[3-tri(propan-2-yl)silyloxypropyl]-2,3,4,5-tetrahydrooxocin-8-one
CID 155929623
1-O-ethyl 2-O,4-O-dimethyl (Z)-1-methylbut-1-ene-1,2,4-tricarboxylate
CID 89232988
ethyl (2Z)-5-(2,2-dimethylpropanoyloxy)-2-(1-tributylstannylethylidene)pentanoate
CID 165180305
Diethyl 2-propan-2-ylidenepentanedioate
CID 9899393
1-O-ethyl 5-O-methyl (2E)-2-[1-[tert-butyl(dimethyl)silyl]oxyethylidene]-3,3-dimethylpentanedioate
CID 10021340
(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
diethyl (2Z)-2-(2-trimethylsilylethylidene)pentanedioate
CID 11161981
ethyl (2E,6E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-trienoate
CID 11634039
1-O-ethyl 5-O-methyl (2Z)-2-[1-[tert-butyl(dimethyl)silyl]oxyethylidene]-3,3-dimethylpentanedioate
CID 13208592

Frequently Asked Questions

What is the IUPAC name of 1-O-ethyl 5-O-methyl (2E)-2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylidene]pentanedioate?
The IUPAC name of 1-O-ethyl 5-O-methyl (2E)-2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylidene]pentanedioate (CID 11198743) is 1-O-ethyl 5-O-methyl (2E)-2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylidene]pentanedioate.
What is the SMILES notation for 1-O-ethyl 5-O-methyl (2E)-2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylidene]pentanedioate?
The canonical SMILES for 1-O-ethyl 5-O-methyl (2E)-2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylidene]pentanedioate is CCOC(=O)/C(CCC(=O)OC)=C(\C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-O-ethyl 5-O-methyl (2E)-2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylidene]pentanedioate?
The InChIKey is HFOLPSYLAHTPOD-BUHFOSPRSA-N. The full InChI is InChI=1S/C17H32O5Si/c1-9-21-16(19)14(10-11-15(18)20-6)13(2)12-22-23(7,8)17(3,4)5/h9-12H2,1-8H3/b14-13+.
What are the key properties of 1-O-ethyl 5-O-methyl (2E)-2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylidene]pentanedioate?
1-O-ethyl 5-O-methyl (2E)-2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylidene]pentanedioate has a molecular weight of 344.52 g/mol, XLogP of 3.84, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-ethyl 5-O-methyl (2E)-2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylidene]pentanedioate is sourced from PubChem (CID 11198743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).