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

C13H18O6 — CID 18175914

IUPAC2-(2-prop-2-enoyloxyethoxycarbonyl)cyclohexane-1-carboxylic acid
SMILESC=CC(=O)OCCOC(=O)C1CCCCC1C(=O)O
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)
InChIKeyUECGJSXCVLTIMQ-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.15
Rot. Bonds6

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

2-(2-prop-2-enoyloxyethoxycarbonyl)cyclohexane-1-carboxylic acid (PubChem CID 18175914) has the molecular formula C13H18O6 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-(2-prop-2-enoyloxyethoxycarbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-prop-2-enoyloxyethoxycarbonyl)cyclohexane-1-carboxylic acid
PubChem CID18175914
Molecular FormulaC13H18O6
Molecular Weight270.28 g/mol
Exact Mass270.11
IUPAC Name2-(2-prop-2-enoyloxyethoxycarbonyl)cyclohexane-1-carboxylic acid
SMILESC=CC(=O)OCCOC(=O)C1CCCCC1C(=O)O
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)
InChIKeyUECGJSXCVLTIMQ-UHFFFAOYSA-N
XLogP1.15
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.15
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

1,2-Cyclohexanedicarboxylic acid, 1,2-di-2-propen-1-yl ester
CID 101161
1,2-Cyclohexanedicarboxylic acid, 1-[2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]ethyl] ester
CID 6452386
cis-2-((2-(Acryloyloxy)ethoxy)carbonyl)cyclohexane-1-carboxylic Acid (stabilized with MEHQ)
CID 168440627
2-[2-(2-Methylprop-2-enoyloxy)propoxycarbonyl]cyclohexane-1-carboxylic acid
CID 18626843
2-Methyl-2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid
CID 19082550
2-[1-(2-Methylprop-2-enoyloxy)propan-2-yloxycarbonyl]cyclohexane-1-carboxylic acid
CID 21562229
1-(2-Prop-2-enoyloxyethyl)cyclohexane-1,2-dicarboxylic acid
CID 21871838
Hexahydrophthalic acid bis[2-(methacryloyloxy)ethyl] ester
CID 56993673
1,2-Cyclohexanedicarboxylic acid, allyl isobutyl ester
CID 91691292
1,2-Cyclohexanedicarboxylic acid, allyl ethyl ester
CID 91697609
1,2-Cyclohexanedicarboxylic acid, allyl butyl ester
CID 91697610
1,2-Cyclohexanedicarboxylic acid, allyl propyl ester
CID 91697749

Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-2-enoyloxyethoxycarbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2-prop-2-enoyloxyethoxycarbonyl)cyclohexane-1-carboxylic acid (CID 18175914) is 2-(2-prop-2-enoyloxyethoxycarbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2-prop-2-enoyloxyethoxycarbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2-prop-2-enoyloxyethoxycarbonyl)cyclohexane-1-carboxylic acid is C=CC(=O)OCCOC(=O)C1CCCCC1C(=O)O.
What is the InChIKey of 2-(2-prop-2-enoyloxyethoxycarbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is UECGJSXCVLTIMQ-UHFFFAOYSA-N. 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).
What are the key properties of 2-(2-prop-2-enoyloxyethoxycarbonyl)cyclohexane-1-carboxylic acid?
2-(2-prop-2-enoyloxyethoxycarbonyl)cyclohexane-1-carboxylic acid has a molecular weight of 270.28 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-2-enoyloxyethoxycarbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 18175914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).