2-methylpentan-2-yl 2,2-dimethyl-3-(2-methylpentan-2-yloxy)propanoate

C17H34O3 — CID 141354214

IUPAC2-methylpentan-2-yl 2,2-dimethyl-3-(2-methylpentan-2-yloxy)propanoate
SMILESCCCC(C)(C)OCC(C)(C)C(=O)OC(C)(C)CCC
InChIInChI=1S/C17H34O3/c1-9-11-16(5,6)19-13-15(3,4)14(18)20-17(7,8)12-10-2/h9-13H2,1-8H3
InChIKeyIUILGOWSEHMZJB-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.73
Rot. Bonds9

About 2-methylpentan-2-yl 2,2-dimethyl-3-(2-methylpentan-2-yloxy)propanoate

2-methylpentan-2-yl 2,2-dimethyl-3-(2-methylpentan-2-yloxy)propanoate (PubChem CID 141354214) has the molecular formula C17H34O3 and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-methylpentan-2-yl 2,2-dimethyl-3-(2-methylpentan-2-yloxy)propanoate.

Molecular Properties

Compound Name2-methylpentan-2-yl 2,2-dimethyl-3-(2-methylpentan-2-yloxy)propanoate
PubChem CID141354214
Molecular FormulaC17H34O3
Molecular Weight286.46 g/mol
Exact Mass286.25
IUPAC Name2-methylpentan-2-yl 2,2-dimethyl-3-(2-methylpentan-2-yloxy)propanoate
SMILESCCCC(C)(C)OCC(C)(C)C(=O)OC(C)(C)CCC
InChIInChI=1S/C17H34O3/c1-9-11-16(5,6)19-13-15(3,4)14(18)20-17(7,8)12-10-2/h9-13H2,1-8H3
InChIKeyIUILGOWSEHMZJB-UHFFFAOYSA-N
XLogP4.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpentan-2-yl 2,2-dimethyl-3-(2-methylpentan-2-yloxy)propanoate?
The IUPAC name of 2-methylpentan-2-yl 2,2-dimethyl-3-(2-methylpentan-2-yloxy)propanoate (CID 141354214) is 2-methylpentan-2-yl 2,2-dimethyl-3-(2-methylpentan-2-yloxy)propanoate.
What is the SMILES notation for 2-methylpentan-2-yl 2,2-dimethyl-3-(2-methylpentan-2-yloxy)propanoate?
The canonical SMILES for 2-methylpentan-2-yl 2,2-dimethyl-3-(2-methylpentan-2-yloxy)propanoate is CCCC(C)(C)OCC(C)(C)C(=O)OC(C)(C)CCC.
What is the InChIKey of 2-methylpentan-2-yl 2,2-dimethyl-3-(2-methylpentan-2-yloxy)propanoate?
The InChIKey is IUILGOWSEHMZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3/c1-9-11-16(5,6)19-13-15(3,4)14(18)20-17(7,8)12-10-2/h9-13H2,1-8H3.
What are the key properties of 2-methylpentan-2-yl 2,2-dimethyl-3-(2-methylpentan-2-yloxy)propanoate?
2-methylpentan-2-yl 2,2-dimethyl-3-(2-methylpentan-2-yloxy)propanoate has a molecular weight of 286.46 g/mol, XLogP of 4.73, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentan-2-yl 2,2-dimethyl-3-(2-methylpentan-2-yloxy)propanoate is sourced from PubChem (CID 141354214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).