2-methylpropyl 2-(2-methylpropoxy)acetate

C10H20O3 — CID 15108437

IUPAC2-methylpropyl 2-(2-methylpropoxy)acetate
SMILESCC(C)COCC(=O)OCC(C)C
InChIInChI=1S/C10H20O3/c1-8(2)5-12-7-10(11)13-6-9(3)4/h8-9H,5-7H2,1-4H3
InChIKeySQVRSSSMVVNPIL-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.86
Rot. Bonds6

About 2-methylpropyl 2-(2-methylpropoxy)acetate

2-methylpropyl 2-(2-methylpropoxy)acetate (PubChem CID 15108437) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-methylpropyl 2-(2-methylpropoxy)acetate.

Molecular Properties

Compound Name2-methylpropyl 2-(2-methylpropoxy)acetate
PubChem CID15108437
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name2-methylpropyl 2-(2-methylpropoxy)acetate
SMILESCC(C)COCC(=O)OCC(C)C
InChIInChI=1S/C10H20O3/c1-8(2)5-12-7-10(11)13-6-9(3)4/h8-9H,5-7H2,1-4H3
InChIKeySQVRSSSMVVNPIL-UHFFFAOYSA-N
XLogP1.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-(2-methylpropoxy)acetate?
The IUPAC name of 2-methylpropyl 2-(2-methylpropoxy)acetate (CID 15108437) is 2-methylpropyl 2-(2-methylpropoxy)acetate.
What is the SMILES notation for 2-methylpropyl 2-(2-methylpropoxy)acetate?
The canonical SMILES for 2-methylpropyl 2-(2-methylpropoxy)acetate is CC(C)COCC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 2-(2-methylpropoxy)acetate?
The InChIKey is SQVRSSSMVVNPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-8(2)5-12-7-10(11)13-6-9(3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-methylpropyl 2-(2-methylpropoxy)acetate?
2-methylpropyl 2-(2-methylpropoxy)acetate has a molecular weight of 188.27 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-(2-methylpropoxy)acetate is sourced from PubChem (CID 15108437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).