(2S)-2-(2-ethylhexoxy)propanoic acid

C11H22O3 — CID 104875836

IUPAC(2S)-2-(2-ethylhexoxy)propanoic acid
SMILESCCCCC(CC)CO[C@@H](C)C(=O)O
InChIInChI=1S/C11H22O3/c1-4-6-7-10(5-2)8-14-9(3)11(12)13/h9-10H,4-8H2,1-3H3,(H,12,13)/t9-,10?/m0/s1
InChIKeyCTBOTNSWGMUTOU-RGURZIINSA-N
MW202.29 g/mol
LogP2.69
Rot. Bonds8

About (2S)-2-(2-ethylhexoxy)propanoic acid

(2S)-2-(2-ethylhexoxy)propanoic acid (PubChem CID 104875836) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is (2S)-2-(2-ethylhexoxy)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(2-ethylhexoxy)propanoic acid
PubChem CID104875836
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name(2S)-2-(2-ethylhexoxy)propanoic acid
SMILESCCCCC(CC)CO[C@@H](C)C(=O)O
InChIInChI=1S/C11H22O3/c1-4-6-7-10(5-2)8-14-9(3)11(12)13/h9-10H,4-8H2,1-3H3,(H,12,13)/t9-,10?/m0/s1
InChIKeyCTBOTNSWGMUTOU-RGURZIINSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-ethylbutoxy)propanoic acid
CID 104876124
tert-butyl 2-(2-ethylhexoxy)propanoate
CID 66337367
2-(2-ethylhexoxy)-2-phosphorosoacetic acid
CID 175522090
2-[1-(2-ethylhexylperoxy)ethyl]hexanoic acid
CID 175089366
3-(heptan-3-yloxymethyl)heptane
CID 90211738
[(2R)-2-ethylhexoxy]carbonyloxy [(2S)-2-ethylhexyl] carbonate
CID 94863795
6,6-bis(2-ethylhexoxy)hexanoic acid
CID 174259034
ethyl 2-ethylhexyl carbonate
CID 54194012
acetic acid;2-ethylhexyl acetate
CID 159619780
2-(2-ethylhexoxy)acetic acid
CID 11651287
2-ethylhexyl 2-methylbutanoate
CID 3023949
3-(difluoromethoxymethyl)heptane
CID 162429038

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-ethylhexoxy)propanoic acid?
The IUPAC name of (2S)-2-(2-ethylhexoxy)propanoic acid (CID 104875836) is (2S)-2-(2-ethylhexoxy)propanoic acid.
What is the SMILES notation for (2S)-2-(2-ethylhexoxy)propanoic acid?
The canonical SMILES for (2S)-2-(2-ethylhexoxy)propanoic acid is CCCCC(CC)CO[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-(2-ethylhexoxy)propanoic acid?
The InChIKey is CTBOTNSWGMUTOU-RGURZIINSA-N. The full InChI is InChI=1S/C11H22O3/c1-4-6-7-10(5-2)8-14-9(3)11(12)13/h9-10H,4-8H2,1-3H3,(H,12,13)/t9-,10?/m0/s1.
What are the key properties of (2S)-2-(2-ethylhexoxy)propanoic acid?
(2S)-2-(2-ethylhexoxy)propanoic acid has a molecular weight of 202.29 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-ethylhexoxy)propanoic acid is sourced from PubChem (CID 104875836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).