4-[3-(3-hydroxypropoxy)propoxy]-2-methylbutanoic acid

C11H22O5 — CID 58617990

IUPAC4-[3-(3-hydroxypropoxy)propoxy]-2-methylbutanoic acid
SMILESCC(CCOCCCOCCCO)C(=O)O
InChIInChI=1S/C11H22O5/c1-10(11(13)14)4-9-16-8-3-7-15-6-2-5-12/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeyKZCDTNIDXVPNDI-UHFFFAOYSA-N
MW234.29 g/mol
LogP0.90
Rot. Bonds11

About 4-[3-(3-hydroxypropoxy)propoxy]-2-methylbutanoic acid

4-[3-(3-hydroxypropoxy)propoxy]-2-methylbutanoic acid (PubChem CID 58617990) has the molecular formula C11H22O5 and a molecular weight of 234.29 g/mol. Its IUPAC name is 4-[3-(3-hydroxypropoxy)propoxy]-2-methylbutanoic acid.

Molecular Properties

Compound Name4-[3-(3-hydroxypropoxy)propoxy]-2-methylbutanoic acid
PubChem CID58617990
Molecular FormulaC11H22O5
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name4-[3-(3-hydroxypropoxy)propoxy]-2-methylbutanoic acid
SMILESCC(CCOCCCOCCCO)C(=O)O
InChIInChI=1S/C11H22O5/c1-10(11(13)14)4-9-16-8-3-7-15-6-2-5-12/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeyKZCDTNIDXVPNDI-UHFFFAOYSA-N
XLogP0.90
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[3-(3-hydroxypropoxy)propoxy]-2-methylbutanoic 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

3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 15061564
6-ethoxy-2-methylhexanoic acid
CID 21074373
4-hydroxy-2-methylbutanoic acid;hydrochloride
CID 90219221
azane;4-methoxy-2-methylbutanoic acid
CID 174560200
3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 155650334
acetic acid;3-butoxypropan-1-ol
CID 71441465
4-(2-bromobutoxy)-2-methylbutanoic acid
CID 174358839
2-[3-(3-hydroxypropoxy)propoxy]-N-propan-2-ylacetamide
CID 146521578
ethane-1,2-diol;3-methyl-1-(3-methylbutoxy)butane;bis(2-sulfanylacetic acid)
CID 174646492
3-[3-[3-[3-[3-[3-[3-[3-[3-[6-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]hexoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 59025207
3-(2-butoxyethoxy)-2-methylpropanoic acid
CID 43537971
4-(2-butoxyethylcarbamoylamino)-2-methylbutanoic acid
CID 80541936

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-hydroxypropoxy)propoxy]-2-methylbutanoic acid?
The IUPAC name of 4-[3-(3-hydroxypropoxy)propoxy]-2-methylbutanoic acid (CID 58617990) is 4-[3-(3-hydroxypropoxy)propoxy]-2-methylbutanoic acid.
What is the SMILES notation for 4-[3-(3-hydroxypropoxy)propoxy]-2-methylbutanoic acid?
The canonical SMILES for 4-[3-(3-hydroxypropoxy)propoxy]-2-methylbutanoic acid is CC(CCOCCCOCCCO)C(=O)O.
What is the InChIKey of 4-[3-(3-hydroxypropoxy)propoxy]-2-methylbutanoic acid?
The InChIKey is KZCDTNIDXVPNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O5/c1-10(11(13)14)4-9-16-8-3-7-15-6-2-5-12/h10,12H,2-9H2,1H3,(H,13,14).
What are the key properties of 4-[3-(3-hydroxypropoxy)propoxy]-2-methylbutanoic acid?
4-[3-(3-hydroxypropoxy)propoxy]-2-methylbutanoic acid has a molecular weight of 234.29 g/mol, XLogP of 0.90, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-hydroxypropoxy)propoxy]-2-methylbutanoic acid is sourced from PubChem (CID 58617990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).