2-acetyloxy-2-cyclohexylacetic acid

C10H16O4 — CID 14528553

IUPAC2-acetyloxy-2-cyclohexylacetic acid
SMILESCC(=O)OC(C(=O)O)C1CCCCC1
InChIInChI=1S/C10H16O4/c1-7(11)14-9(10(12)13)8-5-3-2-4-6-8/h8-9H,2-6H2,1H3,(H,12,13)
InChIKeyYHXPGNBCQYBCCG-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.58
Rot. Bonds3

About 2-acetyloxy-2-cyclohexylacetic acid

2-acetyloxy-2-cyclohexylacetic acid (PubChem CID 14528553) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-acetyloxy-2-cyclohexylacetic acid.

Molecular Properties

Compound Name2-acetyloxy-2-cyclohexylacetic acid
PubChem CID14528553
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name2-acetyloxy-2-cyclohexylacetic acid
SMILESCC(=O)OC(C(=O)O)C1CCCCC1
InChIInChI=1S/C10H16O4/c1-7(11)14-9(10(12)13)8-5-3-2-4-6-8/h8-9H,2-6H2,1H3,(H,12,13)
InChIKeyYHXPGNBCQYBCCG-UHFFFAOYSA-N
XLogP1.58
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-acetyloxy-2-cyclohexylacetate
CID 101044598
2-acetyloxy-2-cyclopropylacetic acid;2-cyclopropyl-2-hydroxyacetic acid
CID 159098130
1-cyclopentylethyl acetate
CID 12705472
[(1S)-1-cyclohexylprop-2-enyl] acetate
CID 102474246
[(1R,2S)-1-cyclohexyl-2-iodopropyl] acetate
CID 23254791
butanoic acid;1-cyclohexylethyl acetate
CID 175401865
1-cyclohexyl-1-propoxypropan-2-one
CID 83224965
1-cyclohexyloxyethyl acetate
CID 58944366
2-cycloheptyl-2-(3-hydroxypropoxy)acetic acid
CID 83224076
acetyl acetate;(1R)-1-cyclohexylethanol;(1S)-1-cyclohexylethanol;[(1R)-1-cyclohexylethyl] acetate;[(1S)-1-cyclohexylethyl] acetate
CID 158946154
[(2S)-1-cyclododecylpropan-2-yl] acetate
CID 7452366
1-cyclohexylbut-3-enyl acetate
CID 11481011

Frequently Asked Questions

What is the IUPAC name of 2-acetyloxy-2-cyclohexylacetic acid?
The IUPAC name of 2-acetyloxy-2-cyclohexylacetic acid (CID 14528553) is 2-acetyloxy-2-cyclohexylacetic acid.
What is the SMILES notation for 2-acetyloxy-2-cyclohexylacetic acid?
The canonical SMILES for 2-acetyloxy-2-cyclohexylacetic acid is CC(=O)OC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-acetyloxy-2-cyclohexylacetic acid?
The InChIKey is YHXPGNBCQYBCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-7(11)14-9(10(12)13)8-5-3-2-4-6-8/h8-9H,2-6H2,1H3,(H,12,13).
What are the key properties of 2-acetyloxy-2-cyclohexylacetic acid?
2-acetyloxy-2-cyclohexylacetic acid has a molecular weight of 200.23 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxy-2-cyclohexylacetic acid is sourced from PubChem (CID 14528553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).