triethyl 4-[bis(trimethylsilyl)amino]butane-1,1,1-tricarboxylate

C19H39NO6Si2 — CID 87248731

IUPACtriethyl 4-[bis(trimethylsilyl)amino]butane-1,1,1-tricarboxylate
SMILESCCOC(=O)C(CCCN([Si](C)(C)C)[Si](C)(C)C)(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C19H39NO6Si2/c1-10-24-16(21)19(17(22)25-11-2,18(23)26-12-3)14-13-15-20(27(4,5)6)28(7,8)9/h10-15H2,1-9H3
InChIKeyMJAZHSHUPHMWKF-UHFFFAOYSA-N
MW433.69 g/mol
LogP3.41
Rot. Bonds12

About triethyl 4-[bis(trimethylsilyl)amino]butane-1,1,1-tricarboxylate

triethyl 4-[bis(trimethylsilyl)amino]butane-1,1,1-tricarboxylate (PubChem CID 87248731) has the molecular formula C19H39NO6Si2 and a molecular weight of 433.69 g/mol. Its IUPAC name is triethyl 4-[bis(trimethylsilyl)amino]butane-1,1,1-tricarboxylate.

Molecular Properties

Compound Nametriethyl 4-[bis(trimethylsilyl)amino]butane-1,1,1-tricarboxylate
PubChem CID87248731
Molecular FormulaC19H39NO6Si2
Molecular Weight433.69 g/mol
Exact Mass433.23
IUPAC Nametriethyl 4-[bis(trimethylsilyl)amino]butane-1,1,1-tricarboxylate
SMILESCCOC(=O)C(CCCN([Si](C)(C)C)[Si](C)(C)C)(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C19H39NO6Si2/c1-10-24-16(21)19(17(22)25-11-2,18(23)26-12-3)14-13-15-20(27(4,5)6)28(7,8)9/h10-15H2,1-9H3
InChIKeyMJAZHSHUPHMWKF-UHFFFAOYSA-N
XLogP3.41
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.69
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tetraethyl propane-1,1,1,3-tetracarboxylate
CID 90920632
triethyl 2-fluoroethane-1,1,1-tricarboxylate
CID 24796347
diethyl 2,2,9,9-tetrafluorodecanedioate
CID 10065200
diethyl 2,2,3,3-tetrahydroxybutanedioate
CID 11264895
ethyl 2-(dimethylamino)-2,2-diethoxyacetate
CID 12514181
diethyl 2,3-dimethyl-2,3-bis(trimethylsilyloxy)butanedioate
CID 139989242
triethyl 2-ethoxypropane-1,2,3-tricarboxylate
CID 57322317
ethyl 2,2-difluoro-3-[methoxy(methyl)amino]propanoate
CID 165462568
ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550
ethyl 2-heptyl-2-undecyltetradecanoate
CID 175402901
ethyl 2,2-dichlorohexanoate
CID 24975968
tetraethyl pentadecane-4,4,10,10-tetracarboxylate
CID 134314067

Frequently Asked Questions

What is the IUPAC name of triethyl 4-[bis(trimethylsilyl)amino]butane-1,1,1-tricarboxylate?
The IUPAC name of triethyl 4-[bis(trimethylsilyl)amino]butane-1,1,1-tricarboxylate (CID 87248731) is triethyl 4-[bis(trimethylsilyl)amino]butane-1,1,1-tricarboxylate.
What is the SMILES notation for triethyl 4-[bis(trimethylsilyl)amino]butane-1,1,1-tricarboxylate?
The canonical SMILES for triethyl 4-[bis(trimethylsilyl)amino]butane-1,1,1-tricarboxylate is CCOC(=O)C(CCCN([Si](C)(C)C)[Si](C)(C)C)(C(=O)OCC)C(=O)OCC.
What is the InChIKey of triethyl 4-[bis(trimethylsilyl)amino]butane-1,1,1-tricarboxylate?
The InChIKey is MJAZHSHUPHMWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO6Si2/c1-10-24-16(21)19(17(22)25-11-2,18(23)26-12-3)14-13-15-20(27(4,5)6)28(7,8)9/h10-15H2,1-9H3.
What are the key properties of triethyl 4-[bis(trimethylsilyl)amino]butane-1,1,1-tricarboxylate?
triethyl 4-[bis(trimethylsilyl)amino]butane-1,1,1-tricarboxylate has a molecular weight of 433.69 g/mol, XLogP of 3.41, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl 4-[bis(trimethylsilyl)amino]butane-1,1,1-tricarboxylate is sourced from PubChem (CID 87248731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).