[di(butan-2-yl)-(2,3-dimethylbutan-2-yl)silyl] prop-2-enoate

C17H34O2Si — CID 87879688

IUPAC[di(butan-2-yl)-(2,3-dimethylbutan-2-yl)silyl] prop-2-enoate
SMILESC=CC(=O)O[Si](C(C)CC)(C(C)CC)C(C)(C)C(C)C
InChIInChI=1S/C17H34O2Si/c1-10-14(6)20(15(7)11-2,19-16(18)12-3)17(8,9)13(4)5/h12-15H,3,10-11H2,1-2,4-9H3
InChIKeyWSUWLGBCHGOCFP-UHFFFAOYSA-N
MW298.54 g/mol
LogP5.70
Rot. Bonds8

About [di(butan-2-yl)-(2,3-dimethylbutan-2-yl)silyl] prop-2-enoate

[di(butan-2-yl)-(2,3-dimethylbutan-2-yl)silyl] prop-2-enoate (PubChem CID 87879688) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is [di(butan-2-yl)-(2,3-dimethylbutan-2-yl)silyl] prop-2-enoate.

Molecular Properties

Compound Name[di(butan-2-yl)-(2,3-dimethylbutan-2-yl)silyl] prop-2-enoate
PubChem CID87879688
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name[di(butan-2-yl)-(2,3-dimethylbutan-2-yl)silyl] prop-2-enoate
SMILESC=CC(=O)O[Si](C(C)CC)(C(C)CC)C(C)(C)C(C)C
InChIInChI=1S/C17H34O2Si/c1-10-14(6)20(15(7)11-2,19-16(18)12-3)17(8,9)13(4)5/h12-15H,3,10-11H2,1-2,4-9H3
InChIKeyWSUWLGBCHGOCFP-UHFFFAOYSA-N
XLogP5.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.54
LogP ≤ 55.70
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

[di(butan-2-yl)-tri(propan-2-yl)silyloxysilyl] prop-2-enoate
CID 87430711
tri(butan-2-yl)silylmethyl prop-2-enoate
CID 141363387
(4-ethyl-3-methylhexa-1,5-dien-3-yl) prop-2-enoate
CID 151459288
3,4-diethylhexan-3-yl prop-2-enoate
CID 175395988
[butan-2-yl-(2-methylbutan-2-yl)-propan-2-ylsilyl] 2-methylprop-2-enoate
CID 18377594
[butyl-di(propan-2-yl)silyl] prop-2-enoate
CID 87900059
CID 172734708
CID 172734708
(3-hydroxy-2-prop-2-enoyloxybutan-2-yl) prop-2-enoate
CID 174261354
(1-chloro-2-methylbutan-2-yl) prop-2-enoate
CID 20643700
3-methylhexan-3-yl prop-2-enoate
CID 87498844
tert-butyl prop-2-enoate;propane-1,2-diol
CID 158874239
triethyl(2-prop-2-enoyloxypropan-2-yl)azanium chloride
CID 161382669

Frequently Asked Questions

What is the IUPAC name of [di(butan-2-yl)-(2,3-dimethylbutan-2-yl)silyl] prop-2-enoate?
The IUPAC name of [di(butan-2-yl)-(2,3-dimethylbutan-2-yl)silyl] prop-2-enoate (CID 87879688) is [di(butan-2-yl)-(2,3-dimethylbutan-2-yl)silyl] prop-2-enoate.
What is the SMILES notation for [di(butan-2-yl)-(2,3-dimethylbutan-2-yl)silyl] prop-2-enoate?
The canonical SMILES for [di(butan-2-yl)-(2,3-dimethylbutan-2-yl)silyl] prop-2-enoate is C=CC(=O)O[Si](C(C)CC)(C(C)CC)C(C)(C)C(C)C.
What is the InChIKey of [di(butan-2-yl)-(2,3-dimethylbutan-2-yl)silyl] prop-2-enoate?
The InChIKey is WSUWLGBCHGOCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-10-14(6)20(15(7)11-2,19-16(18)12-3)17(8,9)13(4)5/h12-15H,3,10-11H2,1-2,4-9H3.
What are the key properties of [di(butan-2-yl)-(2,3-dimethylbutan-2-yl)silyl] prop-2-enoate?
[di(butan-2-yl)-(2,3-dimethylbutan-2-yl)silyl] prop-2-enoate has a molecular weight of 298.54 g/mol, XLogP of 5.70, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [di(butan-2-yl)-(2,3-dimethylbutan-2-yl)silyl] prop-2-enoate is sourced from PubChem (CID 87879688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).