hydron;2-(2-prop-2-enoyloxyethoxycarbonyl)cyclohexane-1-carboxylic acid

C13H19O6+ — CID 174724217

IUPAChydron;2-(2-prop-2-enoyloxyethoxycarbonyl)cyclohexane-1-carboxylic acid
SMILESC=CC(=O)OCCOC(=O)C1CCCCC1C(=O)O.[H+]
InChIInChI=1S/C13H18O6/c1-2-11(14)18-7-8-19-13(17)10-6-4-3-5-9(10)12(15)16/h2,9-10H,1,3-8H2,(H,15,16)/p+1
InChIKeyUECGJSXCVLTIMQ-UHFFFAOYSA-O
MW271.29 g/mol
LogP1.26
Rot. Bonds6

About hydron;2-(2-prop-2-enoyloxyethoxycarbonyl)cyclohexane-1-carboxylic acid

hydron;2-(2-prop-2-enoyloxyethoxycarbonyl)cyclohexane-1-carboxylic acid (PubChem CID 174724217) has the molecular formula C13H19O6+ and a molecular weight of 271.29 g/mol. Its IUPAC name is hydron;2-(2-prop-2-enoyloxyethoxycarbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namehydron;2-(2-prop-2-enoyloxyethoxycarbonyl)cyclohexane-1-carboxylic acid
PubChem CID174724217
Molecular FormulaC13H19O6+
Molecular Weight271.29 g/mol
Exact Mass271.12
IUPAC Namehydron;2-(2-prop-2-enoyloxyethoxycarbonyl)cyclohexane-1-carboxylic acid
SMILESC=CC(=O)OCCOC(=O)C1CCCCC1C(=O)O.[H+]
InChIInChI=1S/C13H18O6/c1-2-11(14)18-7-8-19-13(17)10-6-4-3-5-9(10)12(15)16/h2,9-10H,1,3-8H2,(H,15,16)/p+1
InChIKeyUECGJSXCVLTIMQ-UHFFFAOYSA-O
XLogP1.26
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

cis-(1R,2S)-2-[2-[(1R,2R)-2-carboxycyclohexanecarbonyl]oxyethoxycarbonyl]cyclohexane-1-carboxylic acid
CID 7052272
2-(2-prop-2-enoyloxyethyl)cyclohexane-1-carboxylic acid
CID 59129651
2-(1-prop-2-enoyloxybutan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 140580314
[3-oxo-3-[2-(3-prop-2-enoyloxypropanoyl)cyclohexyl]propyl] prop-2-enoate
CID 90972924
cis-(1R,2S)-2-[5-[(1R,2S)-2-carboxycyclohexanecarbonyl]oxypentanoyl]cyclohexane-1-carboxylic acid
CID 11903802
trans-(1R,2R)-2-[5-[(1R,2S)-2-carboxycyclohexanecarbonyl]oxypentanoyl]cyclohexane-1-carboxylic acid
CID 11903798
2-hexoxycarbonylcyclohexane-1-carboxylic acid
CID 66983530
4-(6-prop-2-enoyloxyhexoxycarbonyl)cyclohexane-1-carboxylic acid
CID 121346810
2-[2-(ethylamino)ethoxycarbonyl]cyclohexane-1-carboxylic acid
CID 22298290
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]cyclohexane-1-carboxylic acid
CID 154604117
tris(ethane-1,2-diol);2-ethoxycarbonylcyclohexane-1-carboxylic acid
CID 67954498

Frequently Asked Questions

What is the IUPAC name of hydron;2-(2-prop-2-enoyloxyethoxycarbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of hydron;2-(2-prop-2-enoyloxyethoxycarbonyl)cyclohexane-1-carboxylic acid (CID 174724217) is hydron;2-(2-prop-2-enoyloxyethoxycarbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for hydron;2-(2-prop-2-enoyloxyethoxycarbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for hydron;2-(2-prop-2-enoyloxyethoxycarbonyl)cyclohexane-1-carboxylic acid is C=CC(=O)OCCOC(=O)C1CCCCC1C(=O)O.[H+].
What is the InChIKey of hydron;2-(2-prop-2-enoyloxyethoxycarbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is UECGJSXCVLTIMQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H18O6/c1-2-11(14)18-7-8-19-13(17)10-6-4-3-5-9(10)12(15)16/h2,9-10H,1,3-8H2,(H,15,16)/p+1.
What are the key properties of hydron;2-(2-prop-2-enoyloxyethoxycarbonyl)cyclohexane-1-carboxylic acid?
hydron;2-(2-prop-2-enoyloxyethoxycarbonyl)cyclohexane-1-carboxylic acid has a molecular weight of 271.29 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;2-(2-prop-2-enoyloxyethoxycarbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 174724217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).