2-(2-prop-2-enoyloxyethyl)cyclohexane-1-carboxylic acid

C12H18O4 — CID 59129651

IUPAC2-(2-prop-2-enoyloxyethyl)cyclohexane-1-carboxylic acid
SMILESC=CC(=O)OCCC1CCCCC1C(=O)O
InChIInChI=1S/C12H18O4/c1-2-11(13)16-8-7-9-5-3-4-6-10(9)12(14)15/h2,9-10H,1,3-8H2,(H,14,15)
InChIKeyJAGMOHVUCWZSEM-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.00
Rot. Bonds5

About 2-(2-prop-2-enoyloxyethyl)cyclohexane-1-carboxylic acid

2-(2-prop-2-enoyloxyethyl)cyclohexane-1-carboxylic acid (PubChem CID 59129651) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 2-(2-prop-2-enoyloxyethyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-prop-2-enoyloxyethyl)cyclohexane-1-carboxylic acid
PubChem CID59129651
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name2-(2-prop-2-enoyloxyethyl)cyclohexane-1-carboxylic acid
SMILESC=CC(=O)OCCC1CCCCC1C(=O)O
InChIInChI=1S/C12H18O4/c1-2-11(13)16-8-7-9-5-3-4-6-10(9)12(14)15/h2,9-10H,1,3-8H2,(H,14,15)
InChIKeyJAGMOHVUCWZSEM-UHFFFAOYSA-N
XLogP2.00
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hydron;2-(2-prop-2-enoyloxyethoxycarbonyl)cyclohexane-1-carboxylic acid
CID 174724217
[3-oxo-3-[2-(3-prop-2-enoyloxypropanoyl)cyclohexyl]propyl] prop-2-enoate
CID 90972924
2-(2-ethylcyclopropyl)ethyl prop-2-enoate
CID 59721630
2-hept-6-enylcyclohexane-1-carboxylic acid
CID 107010655
2-hept-6-enylcycloheptane-1-carboxylic acid
CID 107010657
2-(oxan-2-yl)ethyl prop-2-enoate
CID 141407078
3-(4-cyclohexylcyclohexyl)propyl prop-2-enoate
CID 70268228
2-[10-(2-prop-2-enoyloxyethyl)-3-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate
CID 134574362
cis-(1R,2S)-2-(2-oxohex-5-enyl)cyclohexane-1-carboxylic acid
CID 58070902
2-(3-hydroxycyclohexyl)ethyl prop-2-enoate
CID 171776027
trans-(1R,2R)-2-(5-propanoyloxypentyl)cyclohexane-1-carboxylic acid
CID 177308451
2-(dicyclopentylamino)ethyl prop-2-enoate
CID 176910236

Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-2-enoyloxyethyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2-prop-2-enoyloxyethyl)cyclohexane-1-carboxylic acid (CID 59129651) is 2-(2-prop-2-enoyloxyethyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2-prop-2-enoyloxyethyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2-prop-2-enoyloxyethyl)cyclohexane-1-carboxylic acid is C=CC(=O)OCCC1CCCCC1C(=O)O.
What is the InChIKey of 2-(2-prop-2-enoyloxyethyl)cyclohexane-1-carboxylic acid?
The InChIKey is JAGMOHVUCWZSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-2-11(13)16-8-7-9-5-3-4-6-10(9)12(14)15/h2,9-10H,1,3-8H2,(H,14,15).
What are the key properties of 2-(2-prop-2-enoyloxyethyl)cyclohexane-1-carboxylic acid?
2-(2-prop-2-enoyloxyethyl)cyclohexane-1-carboxylic acid has a molecular weight of 226.27 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-2-enoyloxyethyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 59129651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).