(E)-2-methyl-3-tributylsilylprop-2-enoate

C16H31O2Si- — CID 57434327

IUPAC(E)-2-methyl-3-tributylsilylprop-2-enoate
SMILESCCCC[Si](/C=C(\C)C(=O)[O-])(CCCC)CCCC
InChIInChI=1S/C16H32O2Si/c1-5-8-11-19(12-9-6-2,13-10-7-3)14-15(4)16(17)18/h14H,5-13H2,1-4H3,(H,17,18)/p-1/b15-14+
InChIKeyJTEVJFLFJSJPAE-CCEZHUSRSA-M
MW283.51 g/mol
LogP4.07
Rot. Bonds11

About (E)-2-methyl-3-tributylsilylprop-2-enoate

(E)-2-methyl-3-tributylsilylprop-2-enoate (PubChem CID 57434327) has the molecular formula C16H31O2Si- and a molecular weight of 283.51 g/mol. Its IUPAC name is (E)-2-methyl-3-tributylsilylprop-2-enoate.

Molecular Properties

Compound Name(E)-2-methyl-3-tributylsilylprop-2-enoate
PubChem CID57434327
Molecular FormulaC16H31O2Si-
Molecular Weight283.51 g/mol
Exact Mass283.21
IUPAC Name(E)-2-methyl-3-tributylsilylprop-2-enoate
SMILESCCCC[Si](/C=C(\C)C(=O)[O-])(CCCC)CCCC
InChIInChI=1S/C16H32O2Si/c1-5-8-11-19(12-9-6-2,13-10-7-3)14-15(4)16(17)18/h14H,5-13H2,1-4H3,(H,17,18)/p-1/b15-14+
InChIKeyJTEVJFLFJSJPAE-CCEZHUSRSA-M
XLogP4.07
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.51
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

sodium (E)-4-(butylamino)-2-methyl-4-oxobut-2-enoate
CID 134104316
bis(butyltin(3+));tris(2-methylbut-2-enedioate)
CID 173396016
zinc;hexane;diacetate
CID 174575867
(E)-3-hexylsulfanyl-2-methylprop-2-enoate
CID 22075694
(E)-2-methylpent-2-enoate
CID 7006461
butylphosphanium diacetate
CID 172711940
butylphosphanium acetate
CID 18551477
2-methylbut-2-enoate
CID 20982153
(E)-2-methylhex-2-enoate;2-methylidenehexanoate
CID 21275729
(E)-6,10-dihydroxy-2,6,10-trimethylpentadec-2-enoate
CID 59271430
gallium tris((Z)-2-methylbut-2-enoate)
CID 175178881
ethane;hexane;dicarbonate;hydrate
CID 18475207

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-3-tributylsilylprop-2-enoate?
The IUPAC name of (E)-2-methyl-3-tributylsilylprop-2-enoate (CID 57434327) is (E)-2-methyl-3-tributylsilylprop-2-enoate.
What is the SMILES notation for (E)-2-methyl-3-tributylsilylprop-2-enoate?
The canonical SMILES for (E)-2-methyl-3-tributylsilylprop-2-enoate is CCCC[Si](/C=C(\C)C(=O)[O-])(CCCC)CCCC.
What is the InChIKey of (E)-2-methyl-3-tributylsilylprop-2-enoate?
The InChIKey is JTEVJFLFJSJPAE-CCEZHUSRSA-M. The full InChI is InChI=1S/C16H32O2Si/c1-5-8-11-19(12-9-6-2,13-10-7-3)14-15(4)16(17)18/h14H,5-13H2,1-4H3,(H,17,18)/p-1/b15-14+.
What are the key properties of (E)-2-methyl-3-tributylsilylprop-2-enoate?
(E)-2-methyl-3-tributylsilylprop-2-enoate has a molecular weight of 283.51 g/mol, XLogP of 4.07, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-3-tributylsilylprop-2-enoate is sourced from PubChem (CID 57434327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).