2,3-dimethyl-6-(2-methylprop-2-enoyloxy)-4-trimethoxysilylhex-2-enoic acid

C15H26O7Si — CID 175403302

IUPAC2,3-dimethyl-6-(2-methylprop-2-enoyloxy)-4-trimethoxysilylhex-2-enoic acid
SMILESC=C(C)C(=O)OCCC(C(C)=C(C)C(=O)O)[Si](OC)(OC)OC
InChIInChI=1S/C15H26O7Si/c1-10(2)15(18)22-9-8-13(11(3)12(4)14(16)17)23(19-5,20-6)21-7/h13H,1,8-9H2,2-7H3,(H,16,17)
InChIKeyDRICWGNUWNUVGO-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.17
Rot. Bonds10

About 2,3-dimethyl-6-(2-methylprop-2-enoyloxy)-4-trimethoxysilylhex-2-enoic acid

2,3-dimethyl-6-(2-methylprop-2-enoyloxy)-4-trimethoxysilylhex-2-enoic acid (PubChem CID 175403302) has the molecular formula C15H26O7Si and a molecular weight of 346.45 g/mol. Its IUPAC name is 2,3-dimethyl-6-(2-methylprop-2-enoyloxy)-4-trimethoxysilylhex-2-enoic acid.

Molecular Properties

Compound Name2,3-dimethyl-6-(2-methylprop-2-enoyloxy)-4-trimethoxysilylhex-2-enoic acid
PubChem CID175403302
Molecular FormulaC15H26O7Si
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2,3-dimethyl-6-(2-methylprop-2-enoyloxy)-4-trimethoxysilylhex-2-enoic acid
SMILESC=C(C)C(=O)OCCC(C(C)=C(C)C(=O)O)[Si](OC)(OC)OC
InChIInChI=1S/C15H26O7Si/c1-10(2)15(18)22-9-8-13(11(3)12(4)14(16)17)23(19-5,20-6)21-7/h13H,1,8-9H2,2-7H3,(H,16,17)
InChIKeyDRICWGNUWNUVGO-UHFFFAOYSA-N
XLogP2.17
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.17
H-Bond Donors ≤ 51
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-methylidene-3,5-bis(2-methylprop-2-enoyloxy)pentanoic acid
CID 174764776
3-(1-trimethoxysilylpropoxy)propyl 2-methylprop-2-enoate
CID 178065239
[3-ethyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate
CID 87650049
2-acetyl-5-(2-methylprop-2-enoyloxy)pentanoic acid
CID 174833917
4-(2-methylprop-2-enoyloxy)butan-2-ylphosphonic acid
CID 87771040
2-[10-(2-methylprop-2-enoyloxy)decyl]propanedioic acid
CID 14453192
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
bis(2-methylprop-2-enoic acid);2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 158009828
[3-hydroxy-4-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 19428981
2-amino-6-(2-methylprop-2-enoyloxy)hexanoic acid
CID 123260181
methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 3080735
azane;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 174919252

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-(2-methylprop-2-enoyloxy)-4-trimethoxysilylhex-2-enoic acid?
The IUPAC name of 2,3-dimethyl-6-(2-methylprop-2-enoyloxy)-4-trimethoxysilylhex-2-enoic acid (CID 175403302) is 2,3-dimethyl-6-(2-methylprop-2-enoyloxy)-4-trimethoxysilylhex-2-enoic acid.
What is the SMILES notation for 2,3-dimethyl-6-(2-methylprop-2-enoyloxy)-4-trimethoxysilylhex-2-enoic acid?
The canonical SMILES for 2,3-dimethyl-6-(2-methylprop-2-enoyloxy)-4-trimethoxysilylhex-2-enoic acid is C=C(C)C(=O)OCCC(C(C)=C(C)C(=O)O)[Si](OC)(OC)OC.
What is the InChIKey of 2,3-dimethyl-6-(2-methylprop-2-enoyloxy)-4-trimethoxysilylhex-2-enoic acid?
The InChIKey is DRICWGNUWNUVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O7Si/c1-10(2)15(18)22-9-8-13(11(3)12(4)14(16)17)23(19-5,20-6)21-7/h13H,1,8-9H2,2-7H3,(H,16,17).
What are the key properties of 2,3-dimethyl-6-(2-methylprop-2-enoyloxy)-4-trimethoxysilylhex-2-enoic acid?
2,3-dimethyl-6-(2-methylprop-2-enoyloxy)-4-trimethoxysilylhex-2-enoic acid has a molecular weight of 346.45 g/mol, XLogP of 2.17, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-(2-methylprop-2-enoyloxy)-4-trimethoxysilylhex-2-enoic acid is sourced from PubChem (CID 175403302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).