[di(butan-2-yl)-hexylsilyl] 2-methylprop-2-enoate

C18H36O2Si — CID 155659361

IUPAC[di(butan-2-yl)-hexylsilyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O[Si](CCCCCC)(C(C)CC)C(C)CC
InChIInChI=1S/C18H36O2Si/c1-8-11-12-13-14-21(16(6)9-2,17(7)10-3)20-18(19)15(4)5/h16-17H,4,8-14H2,1-3,5-7H3
InChIKeyWXECKJGBVQDUCF-UHFFFAOYSA-N
MW312.57 g/mol
LogP6.23
Rot. Bonds11

About [di(butan-2-yl)-hexylsilyl] 2-methylprop-2-enoate

[di(butan-2-yl)-hexylsilyl] 2-methylprop-2-enoate (PubChem CID 155659361) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is [di(butan-2-yl)-hexylsilyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[di(butan-2-yl)-hexylsilyl] 2-methylprop-2-enoate
PubChem CID155659361
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Name[di(butan-2-yl)-hexylsilyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O[Si](CCCCCC)(C(C)CC)C(C)CC
InChIInChI=1S/C18H36O2Si/c1-8-11-12-13-14-21(16(6)9-2,17(7)10-3)20-18(19)15(4)5/h16-17H,4,8-14H2,1-3,5-7H3
InChIKeyWXECKJGBVQDUCF-UHFFFAOYSA-N
XLogP6.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[bis[2-(2-methylprop-2-enoyloxy)ethoxy]-pentylsilyl]oxyethyl 2-methylprop-2-enoate
CID 101194851
[dibutyl(2-methylprop-2-enoyloxy)silyl] 2-methylprop-2-enoate
CID 153439669
11-[dihexoxy(methyl)silyl]undecyl 2-methylprop-2-enoate
CID 142567348
[octadecyl-di(propan-2-yl)silyl] prop-2-enoate
CID 87900076
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane
CID 87383190
1-(dihexylamino)propyl 2-methylprop-2-enoate
CID 140511687
octatetracontyl 2-methylprop-2-enoate
CID 141233444
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547
[butyl(dimethoxy)silyl] 2-methylprop-2-enoate
CID 87481263
pentacosan-13-yl 2-methylprop-2-enoate
CID 54141631

Frequently Asked Questions

What is the IUPAC name of [di(butan-2-yl)-hexylsilyl] 2-methylprop-2-enoate?
The IUPAC name of [di(butan-2-yl)-hexylsilyl] 2-methylprop-2-enoate (CID 155659361) is [di(butan-2-yl)-hexylsilyl] 2-methylprop-2-enoate.
What is the SMILES notation for [di(butan-2-yl)-hexylsilyl] 2-methylprop-2-enoate?
The canonical SMILES for [di(butan-2-yl)-hexylsilyl] 2-methylprop-2-enoate is C=C(C)C(=O)O[Si](CCCCCC)(C(C)CC)C(C)CC.
What is the InChIKey of [di(butan-2-yl)-hexylsilyl] 2-methylprop-2-enoate?
The InChIKey is WXECKJGBVQDUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-8-11-12-13-14-21(16(6)9-2,17(7)10-3)20-18(19)15(4)5/h16-17H,4,8-14H2,1-3,5-7H3.
What are the key properties of [di(butan-2-yl)-hexylsilyl] 2-methylprop-2-enoate?
[di(butan-2-yl)-hexylsilyl] 2-methylprop-2-enoate has a molecular weight of 312.57 g/mol, XLogP of 6.23, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [di(butan-2-yl)-hexylsilyl] 2-methylprop-2-enoate is sourced from PubChem (CID 155659361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).