[2-methylbutan-2-yl-di(pentan-2-yl)silyl] 2-methylprop-2-enoate

C19H38O2Si — CID 18377596

IUPAC[2-methylbutan-2-yl-di(pentan-2-yl)silyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O[Si](C(C)CCC)(C(C)CCC)C(C)(C)CC
InChIInChI=1S/C19H38O2Si/c1-10-13-16(6)22(17(7)14-11-2,19(8,9)12-3)21-18(20)15(4)5/h16-17H,4,10-14H2,1-3,5-9H3
InChIKeyFOJZTZKRALXDKM-UHFFFAOYSA-N
MW326.60 g/mol
LogP6.62
Rot. Bonds10

About [2-methylbutan-2-yl-di(pentan-2-yl)silyl] 2-methylprop-2-enoate

[2-methylbutan-2-yl-di(pentan-2-yl)silyl] 2-methylprop-2-enoate (PubChem CID 18377596) has the molecular formula C19H38O2Si and a molecular weight of 326.60 g/mol. Its IUPAC name is [2-methylbutan-2-yl-di(pentan-2-yl)silyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-methylbutan-2-yl-di(pentan-2-yl)silyl] 2-methylprop-2-enoate
PubChem CID18377596
Molecular FormulaC19H38O2Si
Molecular Weight326.60 g/mol
Exact Mass326.26
IUPAC Name[2-methylbutan-2-yl-di(pentan-2-yl)silyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O[Si](C(C)CCC)(C(C)CCC)C(C)(C)CC
InChIInChI=1S/C19H38O2Si/c1-10-13-16(6)22(17(7)14-11-2,19(8,9)12-3)21-18(20)15(4)5/h16-17H,4,10-14H2,1-3,5-9H3
InChIKeyFOJZTZKRALXDKM-UHFFFAOYSA-N
XLogP6.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.60
LogP ≤ 56.62
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

[butan-2-yl-(2-methylbutan-2-yl)-propan-2-ylsilyl] 2-methylprop-2-enoate
CID 18377594
2,2-dimethylbutane;methyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)
CID 175215744
1-tripropoxysilylbutyl 2-methylprop-2-enoate
CID 21430825
1-(diethylamino)butyl 2-methylprop-2-enoate
CID 87217870
[dimethyl(3-methylbutyl)silyl] 2-methylprop-2-enoate
CID 139703188
[methyl(dipropoxy)silyl] 2-methylprop-2-enoate
CID 151665203
1-bromobutyl 2-methylprop-2-enoate
CID 87523903
(3-ethyl-4-methyldecan-3-yl) 2-methylprop-2-enoate
CID 164546755
[di(butan-2-yl)-hexylsilyl] 2-methylprop-2-enoate
CID 155659361
2-[ditert-butyl(pentan-2-yl)silyl]-2-methylpropanoic acid
CID 87855607
(2R)-2-ethyl-2-(2-methylprop-2-enoyloxy)-3-oxobutanoic acid
CID 97052188
2-methylprop-2-enoyl 2-hydroxypentanoate
CID 175550254

Frequently Asked Questions

What is the IUPAC name of [2-methylbutan-2-yl-di(pentan-2-yl)silyl] 2-methylprop-2-enoate?
The IUPAC name of [2-methylbutan-2-yl-di(pentan-2-yl)silyl] 2-methylprop-2-enoate (CID 18377596) is [2-methylbutan-2-yl-di(pentan-2-yl)silyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-methylbutan-2-yl-di(pentan-2-yl)silyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-methylbutan-2-yl-di(pentan-2-yl)silyl] 2-methylprop-2-enoate is C=C(C)C(=O)O[Si](C(C)CCC)(C(C)CCC)C(C)(C)CC.
What is the InChIKey of [2-methylbutan-2-yl-di(pentan-2-yl)silyl] 2-methylprop-2-enoate?
The InChIKey is FOJZTZKRALXDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O2Si/c1-10-13-16(6)22(17(7)14-11-2,19(8,9)12-3)21-18(20)15(4)5/h16-17H,4,10-14H2,1-3,5-9H3.
What are the key properties of [2-methylbutan-2-yl-di(pentan-2-yl)silyl] 2-methylprop-2-enoate?
[2-methylbutan-2-yl-di(pentan-2-yl)silyl] 2-methylprop-2-enoate has a molecular weight of 326.60 g/mol, XLogP of 6.62, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methylbutan-2-yl-di(pentan-2-yl)silyl] 2-methylprop-2-enoate is sourced from PubChem (CID 18377596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).