4-methoxy-2,4-dimethyl-2-propoxypentanoic acid

C11H22O4 — CID 114989299

IUPAC4-methoxy-2,4-dimethyl-2-propoxypentanoic acid
SMILESCCCOC(C)(CC(C)(C)OC)C(=O)O
InChIInChI=1S/C11H22O4/c1-6-7-15-11(4,9(12)13)8-10(2,3)14-5/h6-8H2,1-5H3,(H,12,13)
InChIKeyIYYDFQYWLBDBFW-UHFFFAOYSA-N
MW218.29 g/mol
LogP2.07
Rot. Bonds7

About 4-methoxy-2,4-dimethyl-2-propoxypentanoic acid

4-methoxy-2,4-dimethyl-2-propoxypentanoic acid (PubChem CID 114989299) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 4-methoxy-2,4-dimethyl-2-propoxypentanoic acid.

Molecular Properties

Compound Name4-methoxy-2,4-dimethyl-2-propoxypentanoic acid
PubChem CID114989299
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name4-methoxy-2,4-dimethyl-2-propoxypentanoic acid
SMILESCCCOC(C)(CC(C)(C)OC)C(=O)O
InChIInChI=1S/C11H22O4/c1-6-7-15-11(4,9(12)13)8-10(2,3)14-5/h6-8H2,1-5H3,(H,12,13)
InChIKeyIYYDFQYWLBDBFW-UHFFFAOYSA-N
XLogP2.07
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 88680932
2-heptoxy-2-methylbutanoic acid
CID 19807820
3-(4-bromophenyl)-2-methyl-2-propoxypropanoic acid
CID 67305906
2-dodecoxy-2-methyltetradecanoic acid
CID 88959462
propyl 3-methoxy-3-methylbutanoate
CID 103021036
2-but-3-enoxy-2-methylpentanoic acid
CID 114988966
2-(2-methyl-2-propoxypropoxy)acetic acid
CID 57089609
2-methoxy-2-methylpentanoic acid;propyl 2-methoxypropanoate
CID 175770765
4-methoxy-2,4-dimethyl-2-methylsulfanylpentanoic acid
CID 114989365
2-(2-methoxyethoxy)-2-methyl-3-phenylpropanoic acid
CID 114990567
2,3,3,3-tetrafluoro-2-propoxypropanoic acid;hydrochloride
CID 88623979
4-hydroxy-2-methyl-2-octadecoxypentanoic acid
CID 88607524

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,4-dimethyl-2-propoxypentanoic acid?
The IUPAC name of 4-methoxy-2,4-dimethyl-2-propoxypentanoic acid (CID 114989299) is 4-methoxy-2,4-dimethyl-2-propoxypentanoic acid.
What is the SMILES notation for 4-methoxy-2,4-dimethyl-2-propoxypentanoic acid?
The canonical SMILES for 4-methoxy-2,4-dimethyl-2-propoxypentanoic acid is CCCOC(C)(CC(C)(C)OC)C(=O)O.
What is the InChIKey of 4-methoxy-2,4-dimethyl-2-propoxypentanoic acid?
The InChIKey is IYYDFQYWLBDBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-6-7-15-11(4,9(12)13)8-10(2,3)14-5/h6-8H2,1-5H3,(H,12,13).
What are the key properties of 4-methoxy-2,4-dimethyl-2-propoxypentanoic acid?
4-methoxy-2,4-dimethyl-2-propoxypentanoic acid has a molecular weight of 218.29 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,4-dimethyl-2-propoxypentanoic acid is sourced from PubChem (CID 114989299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).