2-methyl-6-trimethoxysilylhex-2-enoic acid;3-triethoxysilylpropyl 2-methylprop-2-enoate

C23H46O10Si2 — CID 162204652

IUPAC2-methyl-6-trimethoxysilylhex-2-enoic acid;3-triethoxysilylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](OCC)(OCC)OCC.CO[Si](CCCC=C(C)C(=O)O)(OC)OC
InChIInChI=1S/C13H26O5Si.C10H20O5Si/c1-6-16-19(17-7-2,18-8-3)11-9-10-15-13(14)12(4)5;1-9(10(11)12)7-5-6-8-16(13-2,14-3)15-4/h4,6-11H2,1-3,5H3;7H,5-6,8H2,1-4H3,(H,11,12)
InChIKeyZSAKGZXLOOALEW-UHFFFAOYSA-N
MW538.78 g/mol
LogP4.22
Rot. Bonds19

About 2-methyl-6-trimethoxysilylhex-2-enoic acid;3-triethoxysilylpropyl 2-methylprop-2-enoate

2-methyl-6-trimethoxysilylhex-2-enoic acid;3-triethoxysilylpropyl 2-methylprop-2-enoate (PubChem CID 162204652) has the molecular formula C23H46O10Si2 and a molecular weight of 538.78 g/mol. Its IUPAC name is 2-methyl-6-trimethoxysilylhex-2-enoic acid;3-triethoxysilylpropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-methyl-6-trimethoxysilylhex-2-enoic acid;3-triethoxysilylpropyl 2-methylprop-2-enoate
PubChem CID162204652
Molecular FormulaC23H46O10Si2
Molecular Weight538.78 g/mol
Exact Mass538.26
IUPAC Name2-methyl-6-trimethoxysilylhex-2-enoic acid;3-triethoxysilylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](OCC)(OCC)OCC.CO[Si](CCCC=C(C)C(=O)O)(OC)OC
InChIInChI=1S/C13H26O5Si.C10H20O5Si/c1-6-16-19(17-7-2,18-8-3)11-9-10-15-13(14)12(4)5;1-9(10(11)12)7-5-6-8-16(13-2,14-3)15-4/h4,6-11H2,1-3,5H3;7H,5-6,8H2,1-4H3,(H,11,12)
InChIKeyZSAKGZXLOOALEW-UHFFFAOYSA-N
XLogP4.22
TPSA118.98 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.78
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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'}

Analyze 2-methyl-6-trimethoxysilylhex-2-enoic acid;3-triethoxysilylpropyl 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-2-methyl-6-trimethoxysilylhex-2-enoic acid
CID 57455697
2-methyl-6-trimethoxysilylhex-2-enoic acid;sulfane
CID 173006687
azane;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 174919252
heptyl 2-methylprop-2-enoate;2-methyldec-2-enoic acid
CID 159623260
3-[dimethoxy(propoxy)silyl]propyl 2-methylprop-2-enoate
CID 59762876
propane-1-thiol;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 174868664
4-[butoxy(diethoxy)silyl]butyl 2-methylprop-2-enoate
CID 139977875
10-trimethoxysilyldecyl 2-methylprop-2-enoate
CID 14325398
6-(dimethylamino)-2-methylhex-2-enoic acid;3-(dimethylamino)propyl 2-methylprop-2-enoate
CID 158407090
3-[dimethoxy(3-methylbut-3-enoxy)silyl]propyl 2-methylprop-2-enoate
CID 174924853
2-methyl-5-[2-(7-triethoxysilylheptoxycarbonylamino)ethoxy]pent-2-enoic acid
CID 175518240
2-[2-(3-triethoxysilylpropoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate
CID 152545568

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-trimethoxysilylhex-2-enoic acid;3-triethoxysilylpropyl 2-methylprop-2-enoate?
The IUPAC name of 2-methyl-6-trimethoxysilylhex-2-enoic acid;3-triethoxysilylpropyl 2-methylprop-2-enoate (CID 162204652) is 2-methyl-6-trimethoxysilylhex-2-enoic acid;3-triethoxysilylpropyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-methyl-6-trimethoxysilylhex-2-enoic acid;3-triethoxysilylpropyl 2-methylprop-2-enoate?
The canonical SMILES for 2-methyl-6-trimethoxysilylhex-2-enoic acid;3-triethoxysilylpropyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC[Si](OCC)(OCC)OCC.CO[Si](CCCC=C(C)C(=O)O)(OC)OC.
What is the InChIKey of 2-methyl-6-trimethoxysilylhex-2-enoic acid;3-triethoxysilylpropyl 2-methylprop-2-enoate?
The InChIKey is ZSAKGZXLOOALEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5Si.C10H20O5Si/c1-6-16-19(17-7-2,18-8-3)11-9-10-15-13(14)12(4)5;1-9(10(11)12)7-5-6-8-16(13-2,14-3)15-4/h4,6-11H2,1-3,5H3;7H,5-6,8H2,1-4H3,(H,11,12).
What are the key properties of 2-methyl-6-trimethoxysilylhex-2-enoic acid;3-triethoxysilylpropyl 2-methylprop-2-enoate?
2-methyl-6-trimethoxysilylhex-2-enoic acid;3-triethoxysilylpropyl 2-methylprop-2-enoate has a molecular weight of 538.78 g/mol, XLogP of 4.22, 19 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-trimethoxysilylhex-2-enoic acid;3-triethoxysilylpropyl 2-methylprop-2-enoate is sourced from PubChem (CID 162204652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).