1-O-methyl 5-O-(trimethoxysilylmethyl) 2-ethyl-2,4,4-trimethylpentanedioate

C15H30O7Si — CID 20643559

IUPAC1-O-methyl 5-O-(trimethoxysilylmethyl) 2-ethyl-2,4,4-trimethylpentanedioate
SMILESCCC(C)(CC(C)(C)C(=O)OC[Si](OC)(OC)OC)C(=O)OC
InChIInChI=1S/C15H30O7Si/c1-9-15(4,13(17)18-5)10-14(2,3)12(16)22-11-23(19-6,20-7)21-8/h9-11H2,1-8H3
InChIKeyLROLJILRDMJZQN-UHFFFAOYSA-N
MW350.48 g/mol
LogP1.95
Rot. Bonds10

About 1-O-methyl 5-O-(trimethoxysilylmethyl) 2-ethyl-2,4,4-trimethylpentanedioate

1-O-methyl 5-O-(trimethoxysilylmethyl) 2-ethyl-2,4,4-trimethylpentanedioate (PubChem CID 20643559) has the molecular formula C15H30O7Si and a molecular weight of 350.48 g/mol. Its IUPAC name is 1-O-methyl 5-O-(trimethoxysilylmethyl) 2-ethyl-2,4,4-trimethylpentanedioate.

Molecular Properties

Compound Name1-O-methyl 5-O-(trimethoxysilylmethyl) 2-ethyl-2,4,4-trimethylpentanedioate
PubChem CID20643559
Molecular FormulaC15H30O7Si
Molecular Weight350.48 g/mol
Exact Mass350.18
IUPAC Name1-O-methyl 5-O-(trimethoxysilylmethyl) 2-ethyl-2,4,4-trimethylpentanedioate
SMILESCCC(C)(CC(C)(C)C(=O)OC[Si](OC)(OC)OC)C(=O)OC
InChIInChI=1S/C15H30O7Si/c1-9-15(4,13(17)18-5)10-14(2,3)12(16)22-11-23(19-6,20-7)21-8/h9-11H2,1-8H3
InChIKeyLROLJILRDMJZQN-UHFFFAOYSA-N
XLogP1.95
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

methane;1-O-methyl 5-O-(trimethoxysilylmethyl) 2-ethyl-2,4,4-trimethylpentanedioate
CID 159055104
trimethyl 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate
CID 59972134
1-O-methyl 5-O-[2-(2,2,2-tribromoacetyl)oxyethyl] 2-ethyl-2,4,4-trimethylpentanedioate
CID 20741150
1-O-but-3-enyl 5-O-methyl 4-ethyl-2,2,4-trimethylpentanedioate
CID 58112337
2-ethyl-5-methoxy-2,4,4-trimethyl-5-oxopentanoic acid;methane
CID 159489060
5-O-but-2-enyl 3-O-methyl 1-O-prop-2-enyl 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate
CID 59881137
triacontabutyl 1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59-hentriacontamethylhenhexacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59-triacontacarboxylate
CID 58163422
pentadecabutyl 1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-hexadecamethylhentriacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecacarboxylate
CID 176637682
2-[2-ethyl-4-(hydroxymethoxycarbonyl)-7-methoxy-2,4,6,6-tetramethyl-7-oxoheptanoyl]oxyacetic acid
CID 54366588
5-O-[6-[4,6-bis(decoxycarbonyl)-2-(5-decoxy-2-decoxycarbonyl-2,4,4-trimethyl-5-oxopentyl)-2,4,6-trimethyloctanoyl]oxyhexyl] 1-O,3-O,7-O-tris-decyl 9-O-nonyl 1,1,3,5,7,9-hexamethylundecane-1,3,5,7,9-pentacarboxylate
CID 155784375
tridodecyl 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate
CID 140793344
tris(trimethylsilyloxy)silylmethyl 2,2-dimethylbutanoate
CID 20708550

Frequently Asked Questions

What is the IUPAC name of 1-O-methyl 5-O-(trimethoxysilylmethyl) 2-ethyl-2,4,4-trimethylpentanedioate?
The IUPAC name of 1-O-methyl 5-O-(trimethoxysilylmethyl) 2-ethyl-2,4,4-trimethylpentanedioate (CID 20643559) is 1-O-methyl 5-O-(trimethoxysilylmethyl) 2-ethyl-2,4,4-trimethylpentanedioate.
What is the SMILES notation for 1-O-methyl 5-O-(trimethoxysilylmethyl) 2-ethyl-2,4,4-trimethylpentanedioate?
The canonical SMILES for 1-O-methyl 5-O-(trimethoxysilylmethyl) 2-ethyl-2,4,4-trimethylpentanedioate is CCC(C)(CC(C)(C)C(=O)OC[Si](OC)(OC)OC)C(=O)OC.
What is the InChIKey of 1-O-methyl 5-O-(trimethoxysilylmethyl) 2-ethyl-2,4,4-trimethylpentanedioate?
The InChIKey is LROLJILRDMJZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O7Si/c1-9-15(4,13(17)18-5)10-14(2,3)12(16)22-11-23(19-6,20-7)21-8/h9-11H2,1-8H3.
What are the key properties of 1-O-methyl 5-O-(trimethoxysilylmethyl) 2-ethyl-2,4,4-trimethylpentanedioate?
1-O-methyl 5-O-(trimethoxysilylmethyl) 2-ethyl-2,4,4-trimethylpentanedioate has a molecular weight of 350.48 g/mol, XLogP of 1.95, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-methyl 5-O-(trimethoxysilylmethyl) 2-ethyl-2,4,4-trimethylpentanedioate is sourced from PubChem (CID 20643559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).