pentanoic acid

C5H10O2 — CID 7991

IUPACpentanoic acid
SMILESCCCCC(=O)O
InChIInChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
InChIKeyNQPDZGIKBAWPEJ-UHFFFAOYSA-N
MW102.13 g/mol
LogP1.26
Rot. Bonds3

About pentanoic acid

pentanoic acid (PubChem CID 7991) has the molecular formula C5H10O2 and a molecular weight of 102.13 g/mol. Its IUPAC name is pentanoic acid.

Molecular Properties

Compound Namepentanoic acid
PubChem CID7991
Molecular FormulaC5H10O2
Molecular Weight102.13 g/mol
Exact Mass102.07
IUPAC Namepentanoic acid
SMILESCCCCC(=O)O
InChIInChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
InChIKeyNQPDZGIKBAWPEJ-UHFFFAOYSA-N
XLogP1.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.13
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Butyric Acid
CID 264
Hexanoic Acid
CID 8892
Levulinic Acid
CID 11579
Isocaproic acid
CID 12587
2-Methylvaleric acid
CID 7341
3-Methylpentanoic acid
CID 7755
2-Oxovaleric acid
CID 74563
Sodium Valerate
CID 3669864
2-Fluoropentanoic acid
CID 98181
(S)-3-methyl-pentanoic acid
CID 642230
Valerate
CID 114781
5-Fluoropentanoic acid
CID 120235

Frequently Asked Questions

What is the IUPAC name of pentanoic acid?
The IUPAC name of pentanoic acid (CID 7991) is pentanoic acid.
What is the SMILES notation for pentanoic acid?
The canonical SMILES for pentanoic acid is CCCCC(=O)O.
What is the InChIKey of pentanoic acid?
The InChIKey is NQPDZGIKBAWPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7).
What are the key properties of pentanoic acid?
pentanoic acid has a molecular weight of 102.13 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentanoic acid is sourced from PubChem (CID 7991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).