2-methylbutan-2-yl 2-(2-methylbutan-2-yloxy)acetate

C12H24O3 — CID 140993287

IUPAC2-methylbutan-2-yl 2-(2-methylbutan-2-yloxy)acetate
SMILESCCC(C)(C)OCC(=O)OC(C)(C)CC
InChIInChI=1S/C12H24O3/c1-7-11(3,4)14-9-10(13)15-12(5,6)8-2/h7-9H2,1-6H3
InChIKeyIKQRRDZKPLKDEY-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.92
Rot. Bonds6

About 2-methylbutan-2-yl 2-(2-methylbutan-2-yloxy)acetate

2-methylbutan-2-yl 2-(2-methylbutan-2-yloxy)acetate (PubChem CID 140993287) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-methylbutan-2-yl 2-(2-methylbutan-2-yloxy)acetate.

Molecular Properties

Compound Name2-methylbutan-2-yl 2-(2-methylbutan-2-yloxy)acetate
PubChem CID140993287
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name2-methylbutan-2-yl 2-(2-methylbutan-2-yloxy)acetate
SMILESCCC(C)(C)OCC(=O)OC(C)(C)CC
InChIInChI=1S/C12H24O3/c1-7-11(3,4)14-9-10(13)15-12(5,6)8-2/h7-9H2,1-6H3
InChIKeyIKQRRDZKPLKDEY-UHFFFAOYSA-N
XLogP2.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylbutan-2-yl 2-[2-(2-methylbutan-2-yloxy)-2-oxoethyl]peroxyacetate
CID 141485215
2-methylbutan-2-yl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetate
CID 166662738
2-methylbutan-2-yl 2-(3-hydroxycyclopentyl)oxyacetate
CID 70870522
2-methylbutan-2-yl 2-(methylamino)acetate
CID 134215865
6-O-(2-methylbutan-2-yl) 1-O-[2-(2-methylbutan-2-yloxy)ethyl] hexanedioate
CID 88904975
2-methylbutan-2-yl carbonochloridate
CID 15051328
2-methylbutan-2-yl 4-(2-methylbutan-2-ylperoxy)-4-oxobutanoate
CID 139936835
2-[2-(2-methylbutan-2-yloxy)-2-oxoethyl]-2-propoxybutanedioic acid
CID 141161538
2-methylbutan-2-yl 3-acetamidopropanoate
CID 134215822
2-methylbutan-2-yl N-methyl-N-(2-methylbutan-2-yloxycarbonyl)carbamate
CID 67185287
bis(2-methylbutan-2-yl) 2-aminopropanedioate
CID 141226339
2-methylbutan-2-yl 4-(3-amino-3-methylbutoxy)-4-methylpentanoate
CID 167070130

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl 2-(2-methylbutan-2-yloxy)acetate?
The IUPAC name of 2-methylbutan-2-yl 2-(2-methylbutan-2-yloxy)acetate (CID 140993287) is 2-methylbutan-2-yl 2-(2-methylbutan-2-yloxy)acetate.
What is the SMILES notation for 2-methylbutan-2-yl 2-(2-methylbutan-2-yloxy)acetate?
The canonical SMILES for 2-methylbutan-2-yl 2-(2-methylbutan-2-yloxy)acetate is CCC(C)(C)OCC(=O)OC(C)(C)CC.
What is the InChIKey of 2-methylbutan-2-yl 2-(2-methylbutan-2-yloxy)acetate?
The InChIKey is IKQRRDZKPLKDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-7-11(3,4)14-9-10(13)15-12(5,6)8-2/h7-9H2,1-6H3.
What are the key properties of 2-methylbutan-2-yl 2-(2-methylbutan-2-yloxy)acetate?
2-methylbutan-2-yl 2-(2-methylbutan-2-yloxy)acetate has a molecular weight of 216.32 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl 2-(2-methylbutan-2-yloxy)acetate is sourced from PubChem (CID 140993287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).