2-methylprop-2-enoyl 2,3-dihydroxy-2-tris(trimethylsilyloxy)silylhexanoate

C19H42O8Si4 — CID 87238025

IUPAC2-methylprop-2-enoyl 2,3-dihydroxy-2-tris(trimethylsilyloxy)silylhexanoate
SMILESC=C(C)C(=O)OC(=O)C(O)(C(O)CCC)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C19H42O8Si4/c1-13-14-16(20)19(23,18(22)24-17(21)15(2)3)31(25-28(4,5)6,26-29(7,8)9)27-30(10,11)12/h16,20,23H,2,13-14H2,1,3-12H3
InChIKeyKZQIPKNSPIQXIU-UHFFFAOYSA-N
MW510.88 g/mol
LogP3.56
Rot. Bonds12

About 2-methylprop-2-enoyl 2,3-dihydroxy-2-tris(trimethylsilyloxy)silylhexanoate

2-methylprop-2-enoyl 2,3-dihydroxy-2-tris(trimethylsilyloxy)silylhexanoate (PubChem CID 87238025) has the molecular formula C19H42O8Si4 and a molecular weight of 510.88 g/mol. Its IUPAC name is 2-methylprop-2-enoyl 2,3-dihydroxy-2-tris(trimethylsilyloxy)silylhexanoate.

Molecular Properties

Compound Name2-methylprop-2-enoyl 2,3-dihydroxy-2-tris(trimethylsilyloxy)silylhexanoate
PubChem CID87238025
Molecular FormulaC19H42O8Si4
Molecular Weight510.88 g/mol
Exact Mass510.20
IUPAC Name2-methylprop-2-enoyl 2,3-dihydroxy-2-tris(trimethylsilyloxy)silylhexanoate
SMILESC=C(C)C(=O)OC(=O)C(O)(C(O)CCC)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C19H42O8Si4/c1-13-14-16(20)19(23,18(22)24-17(21)15(2)3)31(25-28(4,5)6,26-29(7,8)9)27-30(10,11)12/h16,20,23H,2,13-14H2,1,3-12H3
InChIKeyKZQIPKNSPIQXIU-UHFFFAOYSA-N
XLogP3.56
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.88
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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-methylprop-2-enoyl 2-hydroxypentanoate
CID 175550254
3,3,3-tris[tris(trimethylsilyloxy)silyl]propyl 2-methylprop-2-enoate
CID 18508468
[2-hydroxy-4-[propyl-bis(trimethylsilyloxy)silyl]butyl] 2-methylprop-2-enoate
CID 160516479
[1-[bis(trimethylsilyloxy)silyloxy-bis(trimethylsilyloxy)silyl]-1-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
CID 123245733
tris(trimethylsilyloxy)silyl 2-methylprop-2-enoate
CID 23108290
2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 170331800
2-methylprop-2-enoyl 2,2,3-trimethylbutanoate
CID 101145918
2,2-dihydroxypropanoyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)
CID 161234061
[2-hydroxy-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] 2-methylprop-2-enoate
CID 118855687
2-methylprop-2-enoyl butanoate
CID 19018301
1-(diethylamino)butyl 2-methylprop-2-enoate
CID 87217870
1-bromobutyl 2-methylprop-2-enoate
CID 87523903

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoyl 2,3-dihydroxy-2-tris(trimethylsilyloxy)silylhexanoate?
The IUPAC name of 2-methylprop-2-enoyl 2,3-dihydroxy-2-tris(trimethylsilyloxy)silylhexanoate (CID 87238025) is 2-methylprop-2-enoyl 2,3-dihydroxy-2-tris(trimethylsilyloxy)silylhexanoate.
What is the SMILES notation for 2-methylprop-2-enoyl 2,3-dihydroxy-2-tris(trimethylsilyloxy)silylhexanoate?
The canonical SMILES for 2-methylprop-2-enoyl 2,3-dihydroxy-2-tris(trimethylsilyloxy)silylhexanoate is C=C(C)C(=O)OC(=O)C(O)(C(O)CCC)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 2-methylprop-2-enoyl 2,3-dihydroxy-2-tris(trimethylsilyloxy)silylhexanoate?
The InChIKey is KZQIPKNSPIQXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42O8Si4/c1-13-14-16(20)19(23,18(22)24-17(21)15(2)3)31(25-28(4,5)6,26-29(7,8)9)27-30(10,11)12/h16,20,23H,2,13-14H2,1,3-12H3.
What are the key properties of 2-methylprop-2-enoyl 2,3-dihydroxy-2-tris(trimethylsilyloxy)silylhexanoate?
2-methylprop-2-enoyl 2,3-dihydroxy-2-tris(trimethylsilyloxy)silylhexanoate has a molecular weight of 510.88 g/mol, XLogP of 3.56, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoyl 2,3-dihydroxy-2-tris(trimethylsilyloxy)silylhexanoate is sourced from PubChem (CID 87238025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).