2-octan-4-yloxypropanoic acid

C11H22O3 — CID 151104523

IUPAC2-octan-4-yloxypropanoic acid
SMILESCCCCC(CCC)OC(C)C(=O)O
InChIInChI=1S/C11H22O3/c1-4-6-8-10(7-5-2)14-9(3)11(12)13/h9-10H,4-8H2,1-3H3,(H,12,13)
InChIKeyMOUZSDIEARZMBY-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.84
Rot. Bonds8

About 2-octan-4-yloxypropanoic acid

2-octan-4-yloxypropanoic acid (PubChem CID 151104523) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2-octan-4-yloxypropanoic acid.

Molecular Properties

Compound Name2-octan-4-yloxypropanoic acid
PubChem CID151104523
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2-octan-4-yloxypropanoic acid
SMILESCCCCC(CCC)OC(C)C(=O)O
InChIInChI=1S/C11H22O3/c1-4-6-8-10(7-5-2)14-9(3)11(12)13/h9-10H,4-8H2,1-3H3,(H,12,13)
InChIKeyMOUZSDIEARZMBY-UHFFFAOYSA-N
XLogP2.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

acetic acid;4-octan-4-yloxyoctane
CID 175036803
bis(1-octan-4-yloxyethyl) hexanedioate
CID 164884973
4-hexadecan-5-yloxyhexadecane
CID 57069400
1-octan-4-yloxypropan-1-ol
CID 141313550
2-butylpropanedioic acid;dihydrochloride
CID 87134690
4-icosan-4-yloxyicosane
CID 87313284
diheptan-3-yl carbonate
CID 87131933
(2S)-2-methoxyhexanoic acid
CID 129373931
(2S)-2-(2-ethylhexoxy)propanoic acid
CID 104875836
4-octan-4-yloxy-2,3,4-trioxobutanoic acid
CID 90415246
nonadecan-4-yl hydrogen carbonate
CID 87300318
dioctan-4-yl (E)-but-2-enedioate
CID 91734309

Frequently Asked Questions

What is the IUPAC name of 2-octan-4-yloxypropanoic acid?
The IUPAC name of 2-octan-4-yloxypropanoic acid (CID 151104523) is 2-octan-4-yloxypropanoic acid.
What is the SMILES notation for 2-octan-4-yloxypropanoic acid?
The canonical SMILES for 2-octan-4-yloxypropanoic acid is CCCCC(CCC)OC(C)C(=O)O.
What is the InChIKey of 2-octan-4-yloxypropanoic acid?
The InChIKey is MOUZSDIEARZMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-4-6-8-10(7-5-2)14-9(3)11(12)13/h9-10H,4-8H2,1-3H3,(H,12,13).
What are the key properties of 2-octan-4-yloxypropanoic acid?
2-octan-4-yloxypropanoic acid has a molecular weight of 202.29 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octan-4-yloxypropanoic acid is sourced from PubChem (CID 151104523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).