2-propylpentanoic acid

C8H16O2 — CID 3121

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IUPAC2-propylpentanoic acid
SMILESCCCC(CCC)C(=O)O
InChIInChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
InChIKeyNIJJYAXOARWZEE-UHFFFAOYSA-N
MW144.21 g/mol
LogP2.29
Rot. Bonds5

About 2-propylpentanoic acid

2-propylpentanoic acid (PubChem CID 3121) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2-propylpentanoic acid.

Molecular Properties

Compound Name2-propylpentanoic acid
PubChem CID3121
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2-propylpentanoic acid
SMILESCCCC(CCC)C(=O)O
InChIInChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
InChIKeyNIJJYAXOARWZEE-UHFFFAOYSA-N
XLogP2.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Ethylhexanoic Acid
CID 8697
Isocaproic acid
CID 12587
2-Methylvaleric acid
CID 7341
Sodium Valproate
CID 16760703
Valproate
CID 3549980
Divalproex Sodium
CID 23663956
3-Methylpentanoic acid
CID 7755
(R)-(-)-2-propyloctanoic acid
CID 208925
Isooctanoic acid
CID 90716
2-Methylheptanoic acid
CID 14475
4-Ethyloctanoic acid
CID 61840
(+-)-4-Methylhexanoic acid
CID 15271

Frequently Asked Questions

What is the IUPAC name of 2-propylpentanoic acid?
The IUPAC name of 2-propylpentanoic acid (CID 3121) is 2-propylpentanoic acid.
What is the SMILES notation for 2-propylpentanoic acid?
The canonical SMILES for 2-propylpentanoic acid is CCCC(CCC)C(=O)O.
What is the InChIKey of 2-propylpentanoic acid?
The InChIKey is NIJJYAXOARWZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10).
What are the key properties of 2-propylpentanoic acid?
2-propylpentanoic acid has a molecular weight of 144.21 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylpentanoic acid is sourced from PubChem (CID 3121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).