1-O-methyl 4-O-[1-oxo-1-tri(propan-2-yl)silyloxypentan-2-yl] (Z)-but-2-enedioate

C19H34O6Si — CID 87706788

IUPAC1-O-methyl 4-O-[1-oxo-1-tri(propan-2-yl)silyloxypentan-2-yl] (Z)-but-2-enedioate
SMILESCCCC(OC(=O)/C=C\C(=O)OC)C(=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H34O6Si/c1-9-10-16(24-18(21)12-11-17(20)23-8)19(22)25-26(13(2)3,14(4)5)15(6)7/h11-16H,9-10H2,1-8H3/b12-11-
InChIKeySICRAGFIKBHDQP-QXMHVHEDSA-N
MW386.56 g/mol
LogP4.15
Rot. Bonds10

About 1-O-methyl 4-O-[1-oxo-1-tri(propan-2-yl)silyloxypentan-2-yl] (Z)-but-2-enedioate

1-O-methyl 4-O-[1-oxo-1-tri(propan-2-yl)silyloxypentan-2-yl] (Z)-but-2-enedioate (PubChem CID 87706788) has the molecular formula C19H34O6Si and a molecular weight of 386.56 g/mol. Its IUPAC name is 1-O-methyl 4-O-[1-oxo-1-tri(propan-2-yl)silyloxypentan-2-yl] (Z)-but-2-enedioate.

Molecular Properties

Compound Name1-O-methyl 4-O-[1-oxo-1-tri(propan-2-yl)silyloxypentan-2-yl] (Z)-but-2-enedioate
PubChem CID87706788
Molecular FormulaC19H34O6Si
Molecular Weight386.56 g/mol
Exact Mass386.21
IUPAC Name1-O-methyl 4-O-[1-oxo-1-tri(propan-2-yl)silyloxypentan-2-yl] (Z)-but-2-enedioate
SMILESCCCC(OC(=O)/C=C\C(=O)OC)C(=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H34O6Si/c1-9-10-16(24-18(21)12-11-17(20)23-8)19(22)25-26(13(2)3,14(4)5)15(6)7/h11-16H,9-10H2,1-8H3/b12-11-
InChIKeySICRAGFIKBHDQP-QXMHVHEDSA-N
XLogP4.15
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 54.15
H-Bond Donors ≤ 50
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 1-O-methyl 4-O-[1-oxo-1-tri(propan-2-yl)silyloxypentan-2-yl] (Z)-but-2-enedioate with MolForge

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Related Compounds

1-O-methyl 4-O-[2-oxo-2-tri(propan-2-yl)silyloxyethyl] but-2-enedioate
CID 91372829
butane;dipropan-2-yl (E)-but-2-enedioate
CID 90185025
1-O-methyl 4-O-[1-oxo-1-(2-phenylacetyl)oxypentan-2-yl] (Z)-but-2-enedioate
CID 87705926
bis[tri(propan-2-yl)silyl] but-2-enedioate
CID 123991340
1-O-methyl 4-O-[5-oxo-5-tri(propan-2-yl)silyloxypentyl] but-2-enedioate
CID 91313467
1-O-methyl 4-O-(1-propoxyethyl) but-2-enedioate
CID 54282781
bis(1-aminobutyl) (E)-but-2-enedioate
CID 87656163
4-O-(1-ethoxycarbonyloxyethyl) 1-O-methyl but-2-enedioate
CID 72529787
methyl (E)-4-hydroxyhept-2-enoate
CID 14434764
[(2R)-pentan-2-yl] (Z)-4-(carbamoylamino)-4-oxobut-2-enoate
CID 98475365
4-O-[1-(4-methoxyphenoxy)-1-oxobutan-2-yl] 1-O-methyl but-2-enedioate
CID 69125283
(Z)-4-oxo-4-tri(propan-2-yl)silyloxybut-2-enoic acid
CID 167577175

Frequently Asked Questions

What is the IUPAC name of 1-O-methyl 4-O-[1-oxo-1-tri(propan-2-yl)silyloxypentan-2-yl] (Z)-but-2-enedioate?
The IUPAC name of 1-O-methyl 4-O-[1-oxo-1-tri(propan-2-yl)silyloxypentan-2-yl] (Z)-but-2-enedioate (CID 87706788) is 1-O-methyl 4-O-[1-oxo-1-tri(propan-2-yl)silyloxypentan-2-yl] (Z)-but-2-enedioate.
What is the SMILES notation for 1-O-methyl 4-O-[1-oxo-1-tri(propan-2-yl)silyloxypentan-2-yl] (Z)-but-2-enedioate?
The canonical SMILES for 1-O-methyl 4-O-[1-oxo-1-tri(propan-2-yl)silyloxypentan-2-yl] (Z)-but-2-enedioate is CCCC(OC(=O)/C=C\C(=O)OC)C(=O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 1-O-methyl 4-O-[1-oxo-1-tri(propan-2-yl)silyloxypentan-2-yl] (Z)-but-2-enedioate?
The InChIKey is SICRAGFIKBHDQP-QXMHVHEDSA-N. The full InChI is InChI=1S/C19H34O6Si/c1-9-10-16(24-18(21)12-11-17(20)23-8)19(22)25-26(13(2)3,14(4)5)15(6)7/h11-16H,9-10H2,1-8H3/b12-11-.
What are the key properties of 1-O-methyl 4-O-[1-oxo-1-tri(propan-2-yl)silyloxypentan-2-yl] (Z)-but-2-enedioate?
1-O-methyl 4-O-[1-oxo-1-tri(propan-2-yl)silyloxypentan-2-yl] (Z)-but-2-enedioate has a molecular weight of 386.56 g/mol, XLogP of 4.15, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-methyl 4-O-[1-oxo-1-tri(propan-2-yl)silyloxypentan-2-yl] (Z)-but-2-enedioate is sourced from PubChem (CID 87706788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).