2-methylpentan-3-yl 2-methylbutanoate

C11H22O2 — CID 118880075

IUPAC2-methylpentan-3-yl 2-methylbutanoate
SMILESCCC(C)C(=O)OC(CC)C(C)C
InChIInChI=1S/C11H22O2/c1-6-9(5)11(12)13-10(7-2)8(3)4/h8-10H,6-7H2,1-5H3
InChIKeyDUXTVGAWXBHPNF-UHFFFAOYSA-N
MW186.29 g/mol
LogP3.01
Rot. Bonds5

About 2-methylpentan-3-yl 2-methylbutanoate

2-methylpentan-3-yl 2-methylbutanoate (PubChem CID 118880075) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2-methylpentan-3-yl 2-methylbutanoate.

Molecular Properties

Compound Name2-methylpentan-3-yl 2-methylbutanoate
PubChem CID118880075
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2-methylpentan-3-yl 2-methylbutanoate
SMILESCCC(C)C(=O)OC(CC)C(C)C
InChIInChI=1S/C11H22O2/c1-6-9(5)11(12)13-10(7-2)8(3)4/h8-10H,6-7H2,1-5H3
InChIKeyDUXTVGAWXBHPNF-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylpentan-3-yl 2-methylbutanoate?
The IUPAC name of 2-methylpentan-3-yl 2-methylbutanoate (CID 118880075) is 2-methylpentan-3-yl 2-methylbutanoate.
What is the SMILES notation for 2-methylpentan-3-yl 2-methylbutanoate?
The canonical SMILES for 2-methylpentan-3-yl 2-methylbutanoate is CCC(C)C(=O)OC(CC)C(C)C.
What is the InChIKey of 2-methylpentan-3-yl 2-methylbutanoate?
The InChIKey is DUXTVGAWXBHPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-6-9(5)11(12)13-10(7-2)8(3)4/h8-10H,6-7H2,1-5H3.
What are the key properties of 2-methylpentan-3-yl 2-methylbutanoate?
2-methylpentan-3-yl 2-methylbutanoate has a molecular weight of 186.29 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentan-3-yl 2-methylbutanoate is sourced from PubChem (CID 118880075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).