2-(1-ethoxycarbonyloxyethyl)hexanoic acid

C11H20O5 — CID 122517241

IUPAC2-(1-ethoxycarbonyloxyethyl)hexanoic acid
SMILESCCCCC(C(=O)O)C(C)OC(=O)OCC
InChIInChI=1S/C11H20O5/c1-4-6-7-9(10(12)13)8(3)16-11(14)15-5-2/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyYHDCWWVQTXVTDV-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.44
Rot. Bonds7

About 2-(1-ethoxycarbonyloxyethyl)hexanoic acid

2-(1-ethoxycarbonyloxyethyl)hexanoic acid (PubChem CID 122517241) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(1-ethoxycarbonyloxyethyl)hexanoic acid.

Molecular Properties

Compound Name2-(1-ethoxycarbonyloxyethyl)hexanoic acid
PubChem CID122517241
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name2-(1-ethoxycarbonyloxyethyl)hexanoic acid
SMILESCCCCC(C(=O)O)C(C)OC(=O)OCC
InChIInChI=1S/C11H20O5/c1-4-6-7-9(10(12)13)8(3)16-11(14)15-5-2/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyYHDCWWVQTXVTDV-UHFFFAOYSA-N
XLogP2.44
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(1-ethoxycarbonyloxyethyl)hexanoate
CID 134283844
ethyl 2-butyl-3-ethoxycarbonyloxyheptanoate
CID 122517268
2-butyl-3-methylbutanedioic acid;gold
CID 174979510
2-chloro-3-ethoxycarbonylheptanoic acid
CID 88761756
(3R)-4-ethoxy-2,3-dimethyl-4-oxobutanoic acid
CID 150582435
butyl 3-ethoxybutan-2-yl carbonate
CID 87247453
ethyl (2R,3S)-2,3-dimethylheptanoate
CID 12933610
ethyl 3-ethoxycarbonyloxy-2,2-bis(2-methylpropyl)heptanoate
CID 122517299
2-(1-hexoxy-1-oxopropan-2-yl)hexanoic acid
CID 141208377
ethyl 2-methylhexanoate
CID 12714009
2-methyl-3-octadecylbutanedioic acid
CID 21183584
bis(3-ethoxyheptan-2-yl) carbonate
CID 87841190

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycarbonyloxyethyl)hexanoic acid?
The IUPAC name of 2-(1-ethoxycarbonyloxyethyl)hexanoic acid (CID 122517241) is 2-(1-ethoxycarbonyloxyethyl)hexanoic acid.
What is the SMILES notation for 2-(1-ethoxycarbonyloxyethyl)hexanoic acid?
The canonical SMILES for 2-(1-ethoxycarbonyloxyethyl)hexanoic acid is CCCCC(C(=O)O)C(C)OC(=O)OCC.
What is the InChIKey of 2-(1-ethoxycarbonyloxyethyl)hexanoic acid?
The InChIKey is YHDCWWVQTXVTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-4-6-7-9(10(12)13)8(3)16-11(14)15-5-2/h8-9H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 2-(1-ethoxycarbonyloxyethyl)hexanoic acid?
2-(1-ethoxycarbonyloxyethyl)hexanoic acid has a molecular weight of 232.28 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycarbonyloxyethyl)hexanoic acid is sourced from PubChem (CID 122517241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).