2-(2-methylpropoxy)-2-propylpentanoic acid

C12H24O3 — CID 114989176

IUPAC2-(2-methylpropoxy)-2-propylpentanoic acid
SMILESCCCC(CCC)(OCC(C)C)C(=O)O
InChIInChI=1S/C12H24O3/c1-5-7-12(8-6-2,11(13)14)15-9-10(3)4/h10H,5-9H2,1-4H3,(H,13,14)
InChIKeyQWBALEYWXWLSHZ-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.08
Rot. Bonds8

About 2-(2-methylpropoxy)-2-propylpentanoic acid

2-(2-methylpropoxy)-2-propylpentanoic acid (PubChem CID 114989176) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-(2-methylpropoxy)-2-propylpentanoic acid.

Molecular Properties

Compound Name2-(2-methylpropoxy)-2-propylpentanoic acid
PubChem CID114989176
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name2-(2-methylpropoxy)-2-propylpentanoic acid
SMILESCCCC(CCC)(OCC(C)C)C(=O)O
InChIInChI=1S/C12H24O3/c1-5-7-12(8-6-2,11(13)14)15-9-10(3)4/h10H,5-9H2,1-4H3,(H,13,14)
InChIKeyQWBALEYWXWLSHZ-UHFFFAOYSA-N
XLogP3.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-2-propylpentanoic acid
CID 78969603
2-butoxy-2-propylpentanoic acid
CID 114989192
2-(2-ethoxyethoxy)-2-propylpentanoic acid
CID 114993504
2-(3-methoxypropoxy)-2-propylpentanoic acid
CID 114993502
4,4-bis(2-methylpropoxy)heptane
CID 89439666
2-[(2-methylpropan-2-yl)oxy]-2-propylpentanoic acid
CID 114989189
alumane;2-ethyl-2-(2-methylpropoxy)-3-oxobutanoic acid
CID 175257771
2-ethyl-2-(2-ethylhexoxy)butanoic acid
CID 114994393
2-methyl-2-(2-methylpropoxy)propanamide
CID 137483152
2-ethyl-2-methyl-4-(2-methylpropoxy)butanoic acid
CID 106454883
2-acetyloxy-2-propyloctanoic acid
CID 175290994
2-(2,5-dimethylhexylperoxy)-2-ethylhexanoic acid
CID 150805763

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)-2-propylpentanoic acid?
The IUPAC name of 2-(2-methylpropoxy)-2-propylpentanoic acid (CID 114989176) is 2-(2-methylpropoxy)-2-propylpentanoic acid.
What is the SMILES notation for 2-(2-methylpropoxy)-2-propylpentanoic acid?
The canonical SMILES for 2-(2-methylpropoxy)-2-propylpentanoic acid is CCCC(CCC)(OCC(C)C)C(=O)O.
What is the InChIKey of 2-(2-methylpropoxy)-2-propylpentanoic acid?
The InChIKey is QWBALEYWXWLSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-5-7-12(8-6-2,11(13)14)15-9-10(3)4/h10H,5-9H2,1-4H3,(H,13,14).
What are the key properties of 2-(2-methylpropoxy)-2-propylpentanoic acid?
2-(2-methylpropoxy)-2-propylpentanoic acid has a molecular weight of 216.32 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)-2-propylpentanoic acid is sourced from PubChem (CID 114989176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).