2-[(2-methylpropan-2-yl)oxy]-2-propylpentanoic acid

C12H24O3 — CID 114989189

IUPAC2-[(2-methylpropan-2-yl)oxy]-2-propylpentanoic acid
SMILESCCCC(CCC)(OC(C)(C)C)C(=O)O
InChIInChI=1S/C12H24O3/c1-6-8-12(9-7-2,10(13)14)15-11(3,4)5/h6-9H2,1-5H3,(H,13,14)
InChIKeyZMQMPAVQIGYLAA-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.23
Rot. Bonds6

About 2-[(2-methylpropan-2-yl)oxy]-2-propylpentanoic acid

2-[(2-methylpropan-2-yl)oxy]-2-propylpentanoic acid (PubChem CID 114989189) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-2-propylpentanoic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-2-propylpentanoic acid
PubChem CID114989189
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-2-propylpentanoic acid
SMILESCCCC(CCC)(OC(C)(C)C)C(=O)O
InChIInChI=1S/C12H24O3/c1-6-8-12(9-7-2,10(13)14)15-11(3,4)5/h6-9H2,1-5H3,(H,13,14)
InChIKeyZMQMPAVQIGYLAA-UHFFFAOYSA-N
XLogP3.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.23
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-methylpropoxy)-2-propylpentanoic acid
CID 114989176
2-(2-ethoxyethoxy)-2-propylpentanoic acid
CID 114993504
2-(3-methoxypropoxy)-2-propylpentanoic acid
CID 114993502
2-acetyloxy-2-propyloctanoic acid
CID 175290994
acetic acid;2-methoxypentan-2-ol
CID 130404021
hexane;2-methoxy-2-methylpropane;propan-2-one
CID 88654255
2-ethyl-2-methoxyoctadecanoic acid
CID 174934080
2-(methoxymethyl)-2-methylpentanoic acid
CID 23056513
2-(3-carboxypentan-3-ylperoxy)-2-ethylbutanoic acid
CID 141153642
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propylpentanoic acid
CID 2762257

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-2-propylpentanoic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-2-propylpentanoic acid (CID 114989189) is 2-[(2-methylpropan-2-yl)oxy]-2-propylpentanoic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-2-propylpentanoic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-2-propylpentanoic acid is CCCC(CCC)(OC(C)(C)C)C(=O)O.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-2-propylpentanoic acid?
The InChIKey is ZMQMPAVQIGYLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-6-8-12(9-7-2,10(13)14)15-11(3,4)5/h6-9H2,1-5H3,(H,13,14).
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-2-propylpentanoic acid?
2-[(2-methylpropan-2-yl)oxy]-2-propylpentanoic acid has a molecular weight of 216.32 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-2-propylpentanoic acid is sourced from PubChem (CID 114989189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).