trimethylsilyl (E)-4-(dipropylamino)-4-oxobut-2-enoate

C13H25NO3Si — CID 13183050

IUPACtrimethylsilyl (E)-4-(dipropylamino)-4-oxobut-2-enoate
SMILESCCCN(CCC)C(=O)/C=C/C(=O)O[Si](C)(C)C
InChIInChI=1S/C13H25NO3Si/c1-6-10-14(11-7-2)12(15)8-9-13(16)17-18(3,4)5/h8-9H,6-7,10-11H2,1-5H3/b9-8+
InChIKeyVSTKICWMHNSTOG-CMDGGOBGSA-N
MW271.43 g/mol
LogP2.57
Rot. Bonds7

About trimethylsilyl (E)-4-(dipropylamino)-4-oxobut-2-enoate

trimethylsilyl (E)-4-(dipropylamino)-4-oxobut-2-enoate (PubChem CID 13183050) has the molecular formula C13H25NO3Si and a molecular weight of 271.43 g/mol. Its IUPAC name is trimethylsilyl (E)-4-(dipropylamino)-4-oxobut-2-enoate.

Molecular Properties

Compound Nametrimethylsilyl (E)-4-(dipropylamino)-4-oxobut-2-enoate
PubChem CID13183050
Molecular FormulaC13H25NO3Si
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC Nametrimethylsilyl (E)-4-(dipropylamino)-4-oxobut-2-enoate
SMILESCCCN(CCC)C(=O)/C=C/C(=O)O[Si](C)(C)C
InChIInChI=1S/C13H25NO3Si/c1-6-10-14(11-7-2)12(15)8-9-13(16)17-18(3,4)5/h8-9H,6-7,10-11H2,1-5H3/b9-8+
InChIKeyVSTKICWMHNSTOG-CMDGGOBGSA-N
XLogP2.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

trimethylsilyl hex-2-enoate
CID 598634
(E)-N,N-dipropylbut-2-enamide
CID 21329403
heptyl (E)-4-[di(nonyl)amino]-4-oxobut-2-enoate
CID 91739942
(E)-N,N,N',N'-tetrahexylbut-2-enediamide
CID 91739801
(E)-4-[bis[2-[(E)-3-carboxyprop-2-enoyl]oxyethyl]amino]-4-oxobut-2-enoic acid
CID 142491947
(Z)-4-(dioctadecylamino)-4-oxobut-2-enoic acid
CID 88519286
bis(trimethylsilyl) pent-2-enedioate
CID 553041
trimethylsilyl N,N-dibutylcarbamate
CID 13183036
1-O-cyclohexyl 4-O-trimethylsilyl (E)-but-2-enedioate
CID 19864022
trimethylsilyl (2Z,4Z)-6-oxo-4-trimethylsilyloxyhepta-2,4-dienoate
CID 5374893
3-(4-methoxyphenyl)-N,N-dipropylprop-2-enamide
CID 3500968
3-(5-methylfuran-2-yl)-N,N-dipropylprop-2-enamide
CID 4681801

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (E)-4-(dipropylamino)-4-oxobut-2-enoate?
The IUPAC name of trimethylsilyl (E)-4-(dipropylamino)-4-oxobut-2-enoate (CID 13183050) is trimethylsilyl (E)-4-(dipropylamino)-4-oxobut-2-enoate.
What is the SMILES notation for trimethylsilyl (E)-4-(dipropylamino)-4-oxobut-2-enoate?
The canonical SMILES for trimethylsilyl (E)-4-(dipropylamino)-4-oxobut-2-enoate is CCCN(CCC)C(=O)/C=C/C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (E)-4-(dipropylamino)-4-oxobut-2-enoate?
The InChIKey is VSTKICWMHNSTOG-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H25NO3Si/c1-6-10-14(11-7-2)12(15)8-9-13(16)17-18(3,4)5/h8-9H,6-7,10-11H2,1-5H3/b9-8+.
What are the key properties of trimethylsilyl (E)-4-(dipropylamino)-4-oxobut-2-enoate?
trimethylsilyl (E)-4-(dipropylamino)-4-oxobut-2-enoate has a molecular weight of 271.43 g/mol, XLogP of 2.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (E)-4-(dipropylamino)-4-oxobut-2-enoate is sourced from PubChem (CID 13183050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).