3-methoxypentanoic acid;pentanoic acid

C11H22O5 — CID 174739835

IUPAC3-methoxypentanoic acid;pentanoic acid
SMILESCCC(CC(=O)O)OC.CCCCC(=O)O
InChIInChI=1S/C6H12O3.C5H10O2/c1-3-5(9-2)4-6(7)8;1-2-3-4-5(6)7/h5H,3-4H2,1-2H3,(H,7,8);2-4H2,1H3,(H,6,7)
InChIKeyLCYOCIQKNDERCF-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.15
Rot. Bonds7

About 3-methoxypentanoic acid;pentanoic acid

3-methoxypentanoic acid;pentanoic acid (PubChem CID 174739835) has the molecular formula C11H22O5 and a molecular weight of 234.29 g/mol. Its IUPAC name is 3-methoxypentanoic acid;pentanoic acid.

Molecular Properties

Compound Name3-methoxypentanoic acid;pentanoic acid
PubChem CID174739835
Molecular FormulaC11H22O5
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name3-methoxypentanoic acid;pentanoic acid
SMILESCCC(CC(=O)O)OC.CCCCC(=O)O
InChIInChI=1S/C6H12O3.C5H10O2/c1-3-5(9-2)4-6(7)8;1-2-3-4-5(6)7/h5H,3-4H2,1-2H3,(H,7,8);2-4H2,1H3,(H,6,7)
InChIKeyLCYOCIQKNDERCF-UHFFFAOYSA-N
XLogP2.15
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methoxypentanoic acid;pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butan-1-ol;3-methoxypentanoic acid
CID 174606123
4-methoxyhexan-2-one;3-methoxypentanoic acid
CID 157200389
13-methoxyhenicosanoic acid
CID 15389271
3-methoxynonanoic acid
CID 139673009
6,9,12-trimethoxyoctadecanoic acid
CID 22371562
(3S)-3-methoxyhexanedioic acid
CID 12636073
3-methylbutanoic acid;pentanoic acid
CID 87150377
lanthanum;pentanoic acid
CID 88604988
CID 159436476
CID 159436476
ethane;pentanoic acid
CID 142198531
pentanoic acid;silver
CID 87285302
pentanoic acid;stannane
CID 173249748

Frequently Asked Questions

What is the IUPAC name of 3-methoxypentanoic acid;pentanoic acid?
The IUPAC name of 3-methoxypentanoic acid;pentanoic acid (CID 174739835) is 3-methoxypentanoic acid;pentanoic acid.
What is the SMILES notation for 3-methoxypentanoic acid;pentanoic acid?
The canonical SMILES for 3-methoxypentanoic acid;pentanoic acid is CCC(CC(=O)O)OC.CCCCC(=O)O.
What is the InChIKey of 3-methoxypentanoic acid;pentanoic acid?
The InChIKey is LCYOCIQKNDERCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3.C5H10O2/c1-3-5(9-2)4-6(7)8;1-2-3-4-5(6)7/h5H,3-4H2,1-2H3,(H,7,8);2-4H2,1H3,(H,6,7).
What are the key properties of 3-methoxypentanoic acid;pentanoic acid?
3-methoxypentanoic acid;pentanoic acid has a molecular weight of 234.29 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypentanoic acid;pentanoic acid is sourced from PubChem (CID 174739835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).