[1-[diacetyloxy(methyl)silyl]-2,5-dimethylhexan-3-yl] 2-methylprop-2-enoate

C17H30O6Si — CID 21465801

IUPAC[1-[diacetyloxy(methyl)silyl]-2,5-dimethylhexan-3-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC(C)C)C(C)C[Si](C)(OC(C)=O)OC(C)=O
InChIInChI=1S/C17H30O6Si/c1-11(2)9-16(21-17(20)12(3)4)13(5)10-24(8,22-14(6)18)23-15(7)19/h11,13,16H,3,9-10H2,1-2,4-8H3
InChIKeyAFKYPGQFWOAPLA-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.35
Rot. Bonds9

About [1-[diacetyloxy(methyl)silyl]-2,5-dimethylhexan-3-yl] 2-methylprop-2-enoate

[1-[diacetyloxy(methyl)silyl]-2,5-dimethylhexan-3-yl] 2-methylprop-2-enoate (PubChem CID 21465801) has the molecular formula C17H30O6Si and a molecular weight of 358.51 g/mol. Its IUPAC name is [1-[diacetyloxy(methyl)silyl]-2,5-dimethylhexan-3-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[1-[diacetyloxy(methyl)silyl]-2,5-dimethylhexan-3-yl] 2-methylprop-2-enoate
PubChem CID21465801
Molecular FormulaC17H30O6Si
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name[1-[diacetyloxy(methyl)silyl]-2,5-dimethylhexan-3-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC(C)C)C(C)C[Si](C)(OC(C)=O)OC(C)=O
InChIInChI=1S/C17H30O6Si/c1-11(2)9-16(21-17(20)12(3)4)13(5)10-24(8,22-14(6)18)23-15(7)19/h11,13,16H,3,9-10H2,1-2,4-8H3
InChIKeyAFKYPGQFWOAPLA-UHFFFAOYSA-N
XLogP3.35
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-methyl-1-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 139940333
[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166
propan-2-yl 2-methylprop-2-enoate
CID 146421311
[dimethyl(3-methylbutyl)silyl] 2-methylprop-2-enoate
CID 139703188
(1-hydroxy-2-trimethylsilylethyl) 2-methylprop-2-enoate
CID 54055275
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
1-acetyloxyethyl 2-methylprop-2-enoate
CID 18517368
trihydroxy-[2-(2-methylprop-2-enoyloxy)propyl]phosphanium
CID 154142538
2-dimethylsilyloxypentan-3-yl 2-methylprop-2-enoate
CID 173371342
(1,1-dichloro-1-silylbutan-2-yl) 2-methylprop-2-enoate
CID 173234354
2-fluoro-3-(2-methylprop-2-enoyloxy)pentanoic acid
CID 86684661
azane;(4-chloro-4-ethylhexan-3-yl) 2-methylprop-2-enoate
CID 87147317

Frequently Asked Questions

What is the IUPAC name of [1-[diacetyloxy(methyl)silyl]-2,5-dimethylhexan-3-yl] 2-methylprop-2-enoate?
The IUPAC name of [1-[diacetyloxy(methyl)silyl]-2,5-dimethylhexan-3-yl] 2-methylprop-2-enoate (CID 21465801) is [1-[diacetyloxy(methyl)silyl]-2,5-dimethylhexan-3-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [1-[diacetyloxy(methyl)silyl]-2,5-dimethylhexan-3-yl] 2-methylprop-2-enoate?
The canonical SMILES for [1-[diacetyloxy(methyl)silyl]-2,5-dimethylhexan-3-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(CC(C)C)C(C)C[Si](C)(OC(C)=O)OC(C)=O.
What is the InChIKey of [1-[diacetyloxy(methyl)silyl]-2,5-dimethylhexan-3-yl] 2-methylprop-2-enoate?
The InChIKey is AFKYPGQFWOAPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O6Si/c1-11(2)9-16(21-17(20)12(3)4)13(5)10-24(8,22-14(6)18)23-15(7)19/h11,13,16H,3,9-10H2,1-2,4-8H3.
What are the key properties of [1-[diacetyloxy(methyl)silyl]-2,5-dimethylhexan-3-yl] 2-methylprop-2-enoate?
[1-[diacetyloxy(methyl)silyl]-2,5-dimethylhexan-3-yl] 2-methylprop-2-enoate has a molecular weight of 358.51 g/mol, XLogP of 3.35, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[diacetyloxy(methyl)silyl]-2,5-dimethylhexan-3-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 21465801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).