2-methylprop-2-enoyl 2-methyl-6-trimethoxysilylhex-2-enoate

C14H24O6Si — CID 173289120

IUPAC2-methylprop-2-enoyl 2-methyl-6-trimethoxysilylhex-2-enoate
SMILESC=C(C)C(=O)OC(=O)C(C)=CCCC[Si](OC)(OC)OC
InChIInChI=1S/C14H24O6Si/c1-11(2)13(15)20-14(16)12(3)9-7-8-10-21(17-4,18-5)19-6/h9H,1,7-8,10H2,2-6H3
InChIKeyMYQBBNCZNAYXIR-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.24
Rot. Bonds9

About 2-methylprop-2-enoyl 2-methyl-6-trimethoxysilylhex-2-enoate

2-methylprop-2-enoyl 2-methyl-6-trimethoxysilylhex-2-enoate (PubChem CID 173289120) has the molecular formula C14H24O6Si and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-methylprop-2-enoyl 2-methyl-6-trimethoxysilylhex-2-enoate.

Molecular Properties

Compound Name2-methylprop-2-enoyl 2-methyl-6-trimethoxysilylhex-2-enoate
PubChem CID173289120
Molecular FormulaC14H24O6Si
Molecular Weight316.43 g/mol
Exact Mass316.13
IUPAC Name2-methylprop-2-enoyl 2-methyl-6-trimethoxysilylhex-2-enoate
SMILESC=C(C)C(=O)OC(=O)C(C)=CCCC[Si](OC)(OC)OC
InChIInChI=1S/C14H24O6Si/c1-11(2)13(15)20-14(16)12(3)9-7-8-10-21(17-4,18-5)19-6/h9H,1,7-8,10H2,2-6H3
InChIKeyMYQBBNCZNAYXIR-UHFFFAOYSA-N
XLogP2.24
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoyl 2-methyl-6-trimethoxysilylhex-2-enoate?
The IUPAC name of 2-methylprop-2-enoyl 2-methyl-6-trimethoxysilylhex-2-enoate (CID 173289120) is 2-methylprop-2-enoyl 2-methyl-6-trimethoxysilylhex-2-enoate.
What is the SMILES notation for 2-methylprop-2-enoyl 2-methyl-6-trimethoxysilylhex-2-enoate?
The canonical SMILES for 2-methylprop-2-enoyl 2-methyl-6-trimethoxysilylhex-2-enoate is C=C(C)C(=O)OC(=O)C(C)=CCCC[Si](OC)(OC)OC.
What is the InChIKey of 2-methylprop-2-enoyl 2-methyl-6-trimethoxysilylhex-2-enoate?
The InChIKey is MYQBBNCZNAYXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O6Si/c1-11(2)13(15)20-14(16)12(3)9-7-8-10-21(17-4,18-5)19-6/h9H,1,7-8,10H2,2-6H3.
What are the key properties of 2-methylprop-2-enoyl 2-methyl-6-trimethoxysilylhex-2-enoate?
2-methylprop-2-enoyl 2-methyl-6-trimethoxysilylhex-2-enoate has a molecular weight of 316.43 g/mol, XLogP of 2.24, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoyl 2-methyl-6-trimethoxysilylhex-2-enoate is sourced from PubChem (CID 173289120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).