2-hydroxyheptanoic acid

C7H14O3 — CID 2750949

IUPAC2-hydroxyheptanoic acid
SMILESCCCCCC(O)C(=O)O
InChIInChI=1S/C7H14O3/c1-2-3-4-5-6(8)7(9)10/h6,8H,2-5H2,1H3,(H,9,10)
InChIKeyRGMMREBHCYXQMA-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.01
Rot. Bonds5

About 2-hydroxyheptanoic acid

2-hydroxyheptanoic acid (PubChem CID 2750949) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-hydroxyheptanoic acid.

Molecular Properties

Compound Name2-hydroxyheptanoic acid
PubChem CID2750949
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name2-hydroxyheptanoic acid
SMILESCCCCCC(O)C(=O)O
InChIInChI=1S/C7H14O3/c1-2-3-4-5-6(8)7(9)10/h6,8H,2-5H2,1H3,(H,9,10)
InChIKeyRGMMREBHCYXQMA-UHFFFAOYSA-N
XLogP1.01
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-hydroxydecanoic acid
CID 161255514
(2R)-2-hydroxydecanoic acid
CID 13144006
2-hydroxytridecanoic acid
CID 5282901
2-hydroxyoctadecanoic acid
CID 87724091
2-hydroxytetradecanoic acid;titanium
CID 174290276
sodium;hydride;2-hydroxynonanoic acid
CID 175073840
(2R)-2-hydroxyhexanoic acid
CID 6995511
carbonic acid;2-hydroxyhexanoic acid
CID 160541051
ethane;2-hydroxyhexanoic acid
CID 20976061
2-hydroxyoctadecanoic acid;propane-1,2-diol
CID 87070694
2-hydroxyoctadecanoic acid;octadecanoic acid
CID 87989363
(E)-2-hydroxydocos-13-enoic acid
CID 18923931

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyheptanoic acid?
The IUPAC name of 2-hydroxyheptanoic acid (CID 2750949) is 2-hydroxyheptanoic acid.
What is the SMILES notation for 2-hydroxyheptanoic acid?
The canonical SMILES for 2-hydroxyheptanoic acid is CCCCCC(O)C(=O)O.
What is the InChIKey of 2-hydroxyheptanoic acid?
The InChIKey is RGMMREBHCYXQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-2-3-4-5-6(8)7(9)10/h6,8H,2-5H2,1H3,(H,9,10).
What are the key properties of 2-hydroxyheptanoic acid?
2-hydroxyheptanoic acid has a molecular weight of 146.19 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyheptanoic acid is sourced from PubChem (CID 2750949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).