3-trimethoxysilylpropyl 2-methyl-6-(2-methylprop-2-enoyloxy)hex-2-enoate

C17H30O7Si — CID 90965879

IUPAC3-trimethoxysilylpropyl 2-methyl-6-(2-methylprop-2-enoyloxy)hex-2-enoate
SMILESC=C(C)C(=O)OCCCC=C(C)C(=O)OCCC[Si](OC)(OC)OC
InChIInChI=1S/C17H30O7Si/c1-14(2)16(18)23-11-8-7-10-15(3)17(19)24-12-9-13-25(20-4,21-5)22-6/h10H,1,7-9,11-13H2,2-6H3
InChIKeyZRYWHBRAKBSAHK-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.64
Rot. Bonds13

About 3-trimethoxysilylpropyl 2-methyl-6-(2-methylprop-2-enoyloxy)hex-2-enoate

3-trimethoxysilylpropyl 2-methyl-6-(2-methylprop-2-enoyloxy)hex-2-enoate (PubChem CID 90965879) has the molecular formula C17H30O7Si and a molecular weight of 374.51 g/mol. Its IUPAC name is 3-trimethoxysilylpropyl 2-methyl-6-(2-methylprop-2-enoyloxy)hex-2-enoate.

Molecular Properties

Compound Name3-trimethoxysilylpropyl 2-methyl-6-(2-methylprop-2-enoyloxy)hex-2-enoate
PubChem CID90965879
Molecular FormulaC17H30O7Si
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name3-trimethoxysilylpropyl 2-methyl-6-(2-methylprop-2-enoyloxy)hex-2-enoate
SMILESC=C(C)C(=O)OCCCC=C(C)C(=O)OCCC[Si](OC)(OC)OC
InChIInChI=1S/C17H30O7Si/c1-14(2)16(18)23-11-8-7-10-15(3)17(19)24-12-9-13-25(20-4,21-5)22-6/h10H,1,7-9,11-13H2,2-6H3
InChIKeyZRYWHBRAKBSAHK-UHFFFAOYSA-N
XLogP2.64
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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'}

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Frequently Asked Questions

What is the IUPAC name of 3-trimethoxysilylpropyl 2-methyl-6-(2-methylprop-2-enoyloxy)hex-2-enoate?
The IUPAC name of 3-trimethoxysilylpropyl 2-methyl-6-(2-methylprop-2-enoyloxy)hex-2-enoate (CID 90965879) is 3-trimethoxysilylpropyl 2-methyl-6-(2-methylprop-2-enoyloxy)hex-2-enoate.
What is the SMILES notation for 3-trimethoxysilylpropyl 2-methyl-6-(2-methylprop-2-enoyloxy)hex-2-enoate?
The canonical SMILES for 3-trimethoxysilylpropyl 2-methyl-6-(2-methylprop-2-enoyloxy)hex-2-enoate is C=C(C)C(=O)OCCCC=C(C)C(=O)OCCC[Si](OC)(OC)OC.
What is the InChIKey of 3-trimethoxysilylpropyl 2-methyl-6-(2-methylprop-2-enoyloxy)hex-2-enoate?
The InChIKey is ZRYWHBRAKBSAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O7Si/c1-14(2)16(18)23-11-8-7-10-15(3)17(19)24-12-9-13-25(20-4,21-5)22-6/h10H,1,7-9,11-13H2,2-6H3.
What are the key properties of 3-trimethoxysilylpropyl 2-methyl-6-(2-methylprop-2-enoyloxy)hex-2-enoate?
3-trimethoxysilylpropyl 2-methyl-6-(2-methylprop-2-enoyloxy)hex-2-enoate has a molecular weight of 374.51 g/mol, XLogP of 2.64, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethoxysilylpropyl 2-methyl-6-(2-methylprop-2-enoyloxy)hex-2-enoate is sourced from PubChem (CID 90965879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).