[butan-2-yl-(2-methylbutan-2-yl)-propan-2-ylsilyl] 2-methylprop-2-enoate

C16H32O2Si — CID 18377594

IUPAC[butan-2-yl-(2-methylbutan-2-yl)-propan-2-ylsilyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O[Si](C(C)C)(C(C)CC)C(C)(C)CC
InChIInChI=1S/C16H32O2Si/c1-10-14(7)19(13(5)6,16(8,9)11-2)18-15(17)12(3)4/h13-14H,3,10-11H2,1-2,4-9H3
InChIKeyJNUNZPDJBSLHHD-UHFFFAOYSA-N
MW284.52 g/mol
LogP5.45
Rot. Bonds7

About [butan-2-yl-(2-methylbutan-2-yl)-propan-2-ylsilyl] 2-methylprop-2-enoate

[butan-2-yl-(2-methylbutan-2-yl)-propan-2-ylsilyl] 2-methylprop-2-enoate (PubChem CID 18377594) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is [butan-2-yl-(2-methylbutan-2-yl)-propan-2-ylsilyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[butan-2-yl-(2-methylbutan-2-yl)-propan-2-ylsilyl] 2-methylprop-2-enoate
PubChem CID18377594
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name[butan-2-yl-(2-methylbutan-2-yl)-propan-2-ylsilyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O[Si](C(C)C)(C(C)CC)C(C)(C)CC
InChIInChI=1S/C16H32O2Si/c1-10-14(7)19(13(5)6,16(8,9)11-2)18-15(17)12(3)4/h13-14H,3,10-11H2,1-2,4-9H3
InChIKeyJNUNZPDJBSLHHD-UHFFFAOYSA-N
XLogP5.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.52
LogP ≤ 55.45
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

[2-methylbutan-2-yl-di(pentan-2-yl)silyl] 2-methylprop-2-enoate
CID 18377596
[di(butan-2-yl)-hexylsilyl] 2-methylprop-2-enoate
CID 155659361
[3-methyl-3-(methylamino)pentan-2-yl] 2-methylprop-2-enoate
CID 91213887
(1,1-dichloro-1-silylbutan-2-yl) 2-methylprop-2-enoate
CID 173234354
[di(butan-2-yl)-(2,3-dimethylbutan-2-yl)silyl] prop-2-enoate
CID 87879688
azane;(4-chloro-4-ethylhexan-3-yl) 2-methylprop-2-enoate
CID 87147317
(3-ethyl-2,4-dimethylhexan-3-yl) 2-methylprop-2-enoate
CID 160518137
[2-methyl-1-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 139940333
(3-acetyloxy-2-methylbutan-2-yl) 2-methylprop-2-enoate
CID 21403547
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
[[bis(triethylsilyloxy)-trimethylsilyloxysilyl]oxy-di(butan-2-yl)silyl] 2-methylprop-2-enoate
CID 87430550
[3,5-difluoro-4-(fluoromethyl)-4-hydroxypentan-2-yl] 2-methylprop-2-enoate
CID 89260977

Frequently Asked Questions

What is the IUPAC name of [butan-2-yl-(2-methylbutan-2-yl)-propan-2-ylsilyl] 2-methylprop-2-enoate?
The IUPAC name of [butan-2-yl-(2-methylbutan-2-yl)-propan-2-ylsilyl] 2-methylprop-2-enoate (CID 18377594) is [butan-2-yl-(2-methylbutan-2-yl)-propan-2-ylsilyl] 2-methylprop-2-enoate.
What is the SMILES notation for [butan-2-yl-(2-methylbutan-2-yl)-propan-2-ylsilyl] 2-methylprop-2-enoate?
The canonical SMILES for [butan-2-yl-(2-methylbutan-2-yl)-propan-2-ylsilyl] 2-methylprop-2-enoate is C=C(C)C(=O)O[Si](C(C)C)(C(C)CC)C(C)(C)CC.
What is the InChIKey of [butan-2-yl-(2-methylbutan-2-yl)-propan-2-ylsilyl] 2-methylprop-2-enoate?
The InChIKey is JNUNZPDJBSLHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-10-14(7)19(13(5)6,16(8,9)11-2)18-15(17)12(3)4/h13-14H,3,10-11H2,1-2,4-9H3.
What are the key properties of [butan-2-yl-(2-methylbutan-2-yl)-propan-2-ylsilyl] 2-methylprop-2-enoate?
[butan-2-yl-(2-methylbutan-2-yl)-propan-2-ylsilyl] 2-methylprop-2-enoate has a molecular weight of 284.52 g/mol, XLogP of 5.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [butan-2-yl-(2-methylbutan-2-yl)-propan-2-ylsilyl] 2-methylprop-2-enoate is sourced from PubChem (CID 18377594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).