2-(3-methoxypropoxy)-2-propylpentanoic acid

C12H24O4 — CID 114993502

IUPAC2-(3-methoxypropoxy)-2-propylpentanoic acid
SMILESCCCC(CCC)(OCCCOC)C(=O)O
InChIInChI=1S/C12H24O4/c1-4-7-12(8-5-2,11(13)14)16-10-6-9-15-3/h4-10H2,1-3H3,(H,13,14)
InChIKeyGERQXSIBHNPMFC-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.46
Rot. Bonds10

About 2-(3-methoxypropoxy)-2-propylpentanoic acid

2-(3-methoxypropoxy)-2-propylpentanoic acid (PubChem CID 114993502) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-(3-methoxypropoxy)-2-propylpentanoic acid.

Molecular Properties

Compound Name2-(3-methoxypropoxy)-2-propylpentanoic acid
PubChem CID114993502
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name2-(3-methoxypropoxy)-2-propylpentanoic acid
SMILESCCCC(CCC)(OCCCOC)C(=O)O
InChIInChI=1S/C12H24O4/c1-4-7-12(8-5-2,11(13)14)16-10-6-9-15-3/h4-10H2,1-3H3,(H,13,14)
InChIKeyGERQXSIBHNPMFC-UHFFFAOYSA-N
XLogP2.46
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-butoxy-2-propylpentanoic acid
CID 114989192
2-ethoxy-2-propylpentanoic acid
CID 78969603
2-(2-ethoxyethoxy)-2-propylpentanoic acid
CID 114993504
2-ethyl-2-(3-methoxypropoxy)-4-methylhexanoic acid
CID 114993208
2-(2-methylpropoxy)-2-propylpentanoic acid
CID 114989176
2-decoxy-2-ethylbutanoic acid
CID 138578040
2-butoxy-2-ethyloctadecanoic acid
CID 87089567
2-[3-(1,2,3-tricarboxypropan-2-yloxy)propoxy]propane-1,2,3-tricarboxylic acid
CID 58640862
2-[2-(3-methoxypropoxy)ethylamino]-2-methylpentanoic acid
CID 103181243
2-hexoxy-2-octylbutanedioic acid
CID 54422145
2-(3-methoxypropoxy)-2,5-dimethylhexanoic acid
CID 114993503
2-[(2-methylpropan-2-yl)oxy]-2-propylpentanoic acid
CID 114989189

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropoxy)-2-propylpentanoic acid?
The IUPAC name of 2-(3-methoxypropoxy)-2-propylpentanoic acid (CID 114993502) is 2-(3-methoxypropoxy)-2-propylpentanoic acid.
What is the SMILES notation for 2-(3-methoxypropoxy)-2-propylpentanoic acid?
The canonical SMILES for 2-(3-methoxypropoxy)-2-propylpentanoic acid is CCCC(CCC)(OCCCOC)C(=O)O.
What is the InChIKey of 2-(3-methoxypropoxy)-2-propylpentanoic acid?
The InChIKey is GERQXSIBHNPMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-4-7-12(8-5-2,11(13)14)16-10-6-9-15-3/h4-10H2,1-3H3,(H,13,14).
What are the key properties of 2-(3-methoxypropoxy)-2-propylpentanoic acid?
2-(3-methoxypropoxy)-2-propylpentanoic acid has a molecular weight of 232.32 g/mol, XLogP of 2.46, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropoxy)-2-propylpentanoic acid is sourced from PubChem (CID 114993502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).