tert-butyl 2-ethyl-2-(methoxymethyl)-3-methylbutanoate

C13H26O3 — CID 23297145

IUPACtert-butyl 2-ethyl-2-(methoxymethyl)-3-methylbutanoate
SMILESCCC(COC)(C(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C13H26O3/c1-8-13(9-15-7,10(2)3)11(14)16-12(4,5)6/h10H,8-9H2,1-7H3
InChIKeyQIHIBCZNQWSQSB-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.03
Rot. Bonds5

About tert-butyl 2-ethyl-2-(methoxymethyl)-3-methylbutanoate

tert-butyl 2-ethyl-2-(methoxymethyl)-3-methylbutanoate (PubChem CID 23297145) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is tert-butyl 2-ethyl-2-(methoxymethyl)-3-methylbutanoate.

Molecular Properties

Compound Nametert-butyl 2-ethyl-2-(methoxymethyl)-3-methylbutanoate
PubChem CID23297145
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Nametert-butyl 2-ethyl-2-(methoxymethyl)-3-methylbutanoate
SMILESCCC(COC)(C(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C13H26O3/c1-8-13(9-15-7,10(2)3)11(14)16-12(4,5)6/h10H,8-9H2,1-7H3
InChIKeyQIHIBCZNQWSQSB-UHFFFAOYSA-N
XLogP3.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-ethyl-4,4-dimethyl-2-propan-2-ylpentanoate
CID 123297352
tert-butyl 2-(difluoromethyl)-2-(hydroxymethyl)butanoate
CID 134589151
tert-butyl (2R)-2-aminooxy-2-(methoxymethyl)-4-methylpentanoate
CID 125458752
tert-butyl 2-ethyl-2,4-dimethylpentanoate
CID 90805514
tert-butyl 2-amino-2-methylbutanoate
CID 57065148
tert-butyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate
CID 88590008
3-amino-2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid
CID 151789983
tert-butyl 2,2-bis(methylperoxy)butanoate
CID 21117928
tert-butyl 2-[(1-methoxy-2-methylpropan-2-yl)amino]propanoate
CID 115642073
3-O-tert-butyl 1-O-methyl (2R)-2-ethyl-2-fluoropropanedioate
CID 25265204
ethyl 2-(methoxymethyl)-3-methyl-2-propan-2-ylbutanoate
CID 23297176
methyl (2R)-2-ethyl-2,3-dimethylbutanoate
CID 118967887

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-ethyl-2-(methoxymethyl)-3-methylbutanoate?
The IUPAC name of tert-butyl 2-ethyl-2-(methoxymethyl)-3-methylbutanoate (CID 23297145) is tert-butyl 2-ethyl-2-(methoxymethyl)-3-methylbutanoate.
What is the SMILES notation for tert-butyl 2-ethyl-2-(methoxymethyl)-3-methylbutanoate?
The canonical SMILES for tert-butyl 2-ethyl-2-(methoxymethyl)-3-methylbutanoate is CCC(COC)(C(=O)OC(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl 2-ethyl-2-(methoxymethyl)-3-methylbutanoate?
The InChIKey is QIHIBCZNQWSQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c1-8-13(9-15-7,10(2)3)11(14)16-12(4,5)6/h10H,8-9H2,1-7H3.
What are the key properties of tert-butyl 2-ethyl-2-(methoxymethyl)-3-methylbutanoate?
tert-butyl 2-ethyl-2-(methoxymethyl)-3-methylbutanoate has a molecular weight of 230.35 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-ethyl-2-(methoxymethyl)-3-methylbutanoate is sourced from PubChem (CID 23297145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).