2-(4-propanoyloxybutanoyl)cyclohexane-1-carboxylic acid

C14H22O5 — CID 153288412

IUPAC2-(4-propanoyloxybutanoyl)cyclohexane-1-carboxylic acid
SMILESCCC(=O)OCCCC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C14H22O5/c1-2-13(16)19-9-5-8-12(15)10-6-3-4-7-11(10)14(17)18/h10-11H,2-9H2,1H3,(H,17,18)
InChIKeyAXTPPCCEUNMXKO-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.18
Rot. Bonds7

About 2-(4-propanoyloxybutanoyl)cyclohexane-1-carboxylic acid

2-(4-propanoyloxybutanoyl)cyclohexane-1-carboxylic acid (PubChem CID 153288412) has the molecular formula C14H22O5 and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-(4-propanoyloxybutanoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-propanoyloxybutanoyl)cyclohexane-1-carboxylic acid
PubChem CID153288412
Molecular FormulaC14H22O5
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name2-(4-propanoyloxybutanoyl)cyclohexane-1-carboxylic acid
SMILESCCC(=O)OCCCC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C14H22O5/c1-2-13(16)19-9-5-8-12(15)10-6-3-4-7-11(10)14(17)18/h10-11H,2-9H2,1H3,(H,17,18)
InChIKeyAXTPPCCEUNMXKO-UHFFFAOYSA-N
XLogP2.18
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

trans-(1R,2R)-2-[5-[(1R,2S)-2-carboxycyclohexanecarbonyl]oxypentanoyl]cyclohexane-1-carboxylic acid
CID 11903798
cis-(1R,2S)-2-[5-[(1R,2S)-2-carboxycyclohexanecarbonyl]oxypentanoyl]cyclohexane-1-carboxylic acid
CID 11903802
trans-(1R,2R)-2-(5-propanoyloxypentyl)cyclohexane-1-carboxylic acid
CID 177308451
2-hexoxycarbonylcyclohexane-1-carboxylic acid
CID 66983530
cyclopropanecarboxylic acid;propyl propanoate
CID 162163858
bis(2-butoxycarbonylcyclohexane-1-carboxylic acid);bis(hydroxy(trimethyl)silane);titanium
CID 155635723
14-propanoyloxytetradecyl propanoate
CID 100931915
cis-(1R,2S)-2-[2-[(1R,2R)-2-carboxycyclohexanecarbonyl]oxyethoxycarbonyl]cyclohexane-1-carboxylic acid
CID 7052272
12-oxo-12-(10-propanoyloxydecoxy)dodecanoic acid
CID 118033576
2-(2-chloroacetyl)cyclohexane-1-carboxylic acid
CID 118009031
(1S)-2-acetylcyclohexane-1-carboxylic acid
CID 126517131
2-[2-(2,2-dimethylbutanoyloxy)acetyl]cyclohexane-1-carboxylic acid
CID 134463632

Frequently Asked Questions

What is the IUPAC name of 2-(4-propanoyloxybutanoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(4-propanoyloxybutanoyl)cyclohexane-1-carboxylic acid (CID 153288412) is 2-(4-propanoyloxybutanoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(4-propanoyloxybutanoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(4-propanoyloxybutanoyl)cyclohexane-1-carboxylic acid is CCC(=O)OCCCC(=O)C1CCCCC1C(=O)O.
What is the InChIKey of 2-(4-propanoyloxybutanoyl)cyclohexane-1-carboxylic acid?
The InChIKey is AXTPPCCEUNMXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O5/c1-2-13(16)19-9-5-8-12(15)10-6-3-4-7-11(10)14(17)18/h10-11H,2-9H2,1H3,(H,17,18).
What are the key properties of 2-(4-propanoyloxybutanoyl)cyclohexane-1-carboxylic acid?
2-(4-propanoyloxybutanoyl)cyclohexane-1-carboxylic acid has a molecular weight of 270.32 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propanoyloxybutanoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 153288412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).