acetic acid;cyclohexane-1,2-dicarboxylic acid

C10H16O6 — CID 66603349

IUPACacetic acid;cyclohexane-1,2-dicarboxylic acid
SMILESCC(=O)O.O=C(O)C1CCCCC1C(=O)O
InChIInChI=1S/C8H12O4.C2H4O2/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-2(3)4/h5-6H,1-4H2,(H,9,10)(H,11,12);1H3,(H,3,4)
InChIKeyAEMQUICCWRPKDB-UHFFFAOYSA-N
MW232.23 g/mol
LogP1.05
Rot. Bonds2

About acetic acid;cyclohexane-1,2-dicarboxylic acid

acetic acid;cyclohexane-1,2-dicarboxylic acid (PubChem CID 66603349) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is acetic acid;cyclohexane-1,2-dicarboxylic acid.

Molecular Properties

Compound Nameacetic acid;cyclohexane-1,2-dicarboxylic acid
PubChem CID66603349
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Nameacetic acid;cyclohexane-1,2-dicarboxylic acid
SMILESCC(=O)O.O=C(O)C1CCCCC1C(=O)O
InChIInChI=1S/C8H12O4.C2H4O2/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-2(3)4/h5-6H,1-4H2,(H,9,10)(H,11,12);1H3,(H,3,4)
InChIKeyAEMQUICCWRPKDB-UHFFFAOYSA-N
XLogP1.05
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-2-acetylcyclohexane-1-carboxylic acid
CID 126517131
trans-(1R,2R)-cyclohexane-1,2-dicarboxylic acid;hydrochloride
CID 70535628
trans-(1S,2S)-2-acetylcyclopentane-1-carboxylic acid
CID 98774560
calcium;cis-(1S,2R)-cyclohexane-1,2-dicarboxylic acid;hydride;hydrate
CID 175099769
(1S)-2-methylcyclohexane-1-carboxylic acid
CID 89206969
2-methylcyclohexane-1-carboxylic acid;dihydrochloride
CID 90238967
2-[1-(2-carboxycyclohexyl)ethenyl]cyclohexane-1-carboxylic acid
CID 177009051
2-methylcyclooctane-1-carboxylic acid
CID 21039885
(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426
2-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 16786759
2-[di(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 3791717
cis-(1R,2S)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 724026

Frequently Asked Questions

What is the IUPAC name of acetic acid;cyclohexane-1,2-dicarboxylic acid?
The IUPAC name of acetic acid;cyclohexane-1,2-dicarboxylic acid (CID 66603349) is acetic acid;cyclohexane-1,2-dicarboxylic acid.
What is the SMILES notation for acetic acid;cyclohexane-1,2-dicarboxylic acid?
The canonical SMILES for acetic acid;cyclohexane-1,2-dicarboxylic acid is CC(=O)O.O=C(O)C1CCCCC1C(=O)O.
What is the InChIKey of acetic acid;cyclohexane-1,2-dicarboxylic acid?
The InChIKey is AEMQUICCWRPKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4.C2H4O2/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-2(3)4/h5-6H,1-4H2,(H,9,10)(H,11,12);1H3,(H,3,4).
What are the key properties of acetic acid;cyclohexane-1,2-dicarboxylic acid?
acetic acid;cyclohexane-1,2-dicarboxylic acid has a molecular weight of 232.23 g/mol, XLogP of 1.05, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;cyclohexane-1,2-dicarboxylic acid is sourced from PubChem (CID 66603349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).