3-methylpentyl 2-methylbutanoate

C11H22O2 — CID 3019319

IUPAC3-methylpentyl 2-methylbutanoate
SMILESCCC(C)CCOC(=O)C(C)CC
InChIInChI=1S/C11H22O2/c1-5-9(3)7-8-13-11(12)10(4)6-2/h9-10H,5-8H2,1-4H3
InChIKeyOGFNJVCHDZQOND-UHFFFAOYSA-N
MW186.29 g/mol
LogP3.01
Rot. Bonds6

About 3-methylpentyl 2-methylbutanoate

3-methylpentyl 2-methylbutanoate (PubChem CID 3019319) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 3-methylpentyl 2-methylbutanoate.

Molecular Properties

Compound Name3-methylpentyl 2-methylbutanoate
PubChem CID3019319
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name3-methylpentyl 2-methylbutanoate
SMILESCCC(C)CCOC(=O)C(C)CC
InChIInChI=1S/C11H22O2/c1-5-9(3)7-8-13-11(12)10(4)6-2/h9-10H,5-8H2,1-4H3
InChIKeyOGFNJVCHDZQOND-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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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Related Compounds

propyl (2R)-2-methylbutanoate
CID 86306230
[(3R)-3-[(2R)-2-methylbutanoyl]oxypentyl] (2R)-2-methylbutanoate
CID 98854584
3-cyanobutyl 2-methylbutanoate
CID 58676069
methane;2-methoxyethyl 2-methylbutanoate
CID 165084023
2-(methylcarbamoyloxy)ethyl 2-methylbutanoate
CID 160943792
bis(3-methylpentyl) pentanedioate
CID 91706840
3-[(2R)-2-methylbutanoyl]oxypropanoic acid
CID 89148058
2-ethoxyethyl (2R)-2-methylbutanoate
CID 59033497
(4-methyl-3-oxohexyl) 2-methylbutanoate
CID 58175067
2-methylbutanoyloxymethyl 2-methylbutanoate
CID 20789926
2-(3-methylpentoxy)-2-oxoethanesulfinic acid
CID 91116076
[(3S)-3-methylpentyl] prop-2-ynoate
CID 101053200

Frequently Asked Questions

What is the IUPAC name of 3-methylpentyl 2-methylbutanoate?
The IUPAC name of 3-methylpentyl 2-methylbutanoate (CID 3019319) is 3-methylpentyl 2-methylbutanoate.
What is the SMILES notation for 3-methylpentyl 2-methylbutanoate?
The canonical SMILES for 3-methylpentyl 2-methylbutanoate is CCC(C)CCOC(=O)C(C)CC.
What is the InChIKey of 3-methylpentyl 2-methylbutanoate?
The InChIKey is OGFNJVCHDZQOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-5-9(3)7-8-13-11(12)10(4)6-2/h9-10H,5-8H2,1-4H3.
What are the key properties of 3-methylpentyl 2-methylbutanoate?
3-methylpentyl 2-methylbutanoate has a molecular weight of 186.29 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpentyl 2-methylbutanoate is sourced from PubChem (CID 3019319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).