2-[2-(2-methylprop-2-enoyloxy)ethylperoxycarbonyl]cyclohexane-1-carboxylic acid

C14H20O7 — CID 175477136

IUPAC2-[2-(2-methylprop-2-enoyloxy)ethylperoxycarbonyl]cyclohexane-1-carboxylic acid
SMILESC=C(C)C(=O)OCCOOC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C14H20O7/c1-9(2)13(17)19-7-8-20-21-14(18)11-6-4-3-5-10(11)12(15)16/h10-11H,1,3-8H2,2H3,(H,15,16)
InChIKeySYVLGEPZCIYTCU-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.47
Rot. Bonds7

About 2-[2-(2-methylprop-2-enoyloxy)ethylperoxycarbonyl]cyclohexane-1-carboxylic acid

2-[2-(2-methylprop-2-enoyloxy)ethylperoxycarbonyl]cyclohexane-1-carboxylic acid (PubChem CID 175477136) has the molecular formula C14H20O7 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-[2-(2-methylprop-2-enoyloxy)ethylperoxycarbonyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-methylprop-2-enoyloxy)ethylperoxycarbonyl]cyclohexane-1-carboxylic acid
PubChem CID175477136
Molecular FormulaC14H20O7
Molecular Weight300.31 g/mol
Exact Mass300.12
IUPAC Name2-[2-(2-methylprop-2-enoyloxy)ethylperoxycarbonyl]cyclohexane-1-carboxylic acid
SMILESC=C(C)C(=O)OCCOOC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C14H20O7/c1-9(2)13(17)19-7-8-20-21-14(18)11-6-4-3-5-10(11)12(15)16/h10-11H,1,3-8H2,2H3,(H,15,16)
InChIKeySYVLGEPZCIYTCU-UHFFFAOYSA-N
XLogP1.47
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

bis[2-(2-methylprop-2-enoylperoxy)ethyl] cyclohexane-1,2-dicarboxylate
CID 118237282
1-O-ethyl 2-O-[2-(2-methylprop-2-enoyloxy)ethyl] cyclohexane-1,2-dicarboxylate
CID 151718599
cis-(1R,2S)-2-[2-[(1R,2R)-2-carboxycyclohexanecarbonyl]oxyethoxycarbonyl]cyclohexane-1-carboxylic acid
CID 7052272
2-[1-(4-methyl-3-oxopent-4-enoxy)ethylperoxycarbonyl]cyclohexane-1-carboxylic acid
CID 175363961
2-cyclohexyloxyethyl 2-methylprop-2-enoate
CID 14692693
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139628547
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-methylprop-1-ene;propyl 2-methylperoxycarbonylcyclohexane-1-carboxylate
CID 160929213
bis(2-methylprop-2-enoic acid);2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 158009828
bis(2-methylprop-2-enoyl) cyclohexane-1,2-dicarboxylate
CID 87249059

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylprop-2-enoyloxy)ethylperoxycarbonyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[2-(2-methylprop-2-enoyloxy)ethylperoxycarbonyl]cyclohexane-1-carboxylic acid (CID 175477136) is 2-[2-(2-methylprop-2-enoyloxy)ethylperoxycarbonyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(2-methylprop-2-enoyloxy)ethylperoxycarbonyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[2-(2-methylprop-2-enoyloxy)ethylperoxycarbonyl]cyclohexane-1-carboxylic acid is C=C(C)C(=O)OCCOOC(=O)C1CCCCC1C(=O)O.
What is the InChIKey of 2-[2-(2-methylprop-2-enoyloxy)ethylperoxycarbonyl]cyclohexane-1-carboxylic acid?
The InChIKey is SYVLGEPZCIYTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O7/c1-9(2)13(17)19-7-8-20-21-14(18)11-6-4-3-5-10(11)12(15)16/h10-11H,1,3-8H2,2H3,(H,15,16).
What are the key properties of 2-[2-(2-methylprop-2-enoyloxy)ethylperoxycarbonyl]cyclohexane-1-carboxylic acid?
2-[2-(2-methylprop-2-enoyloxy)ethylperoxycarbonyl]cyclohexane-1-carboxylic acid has a molecular weight of 300.31 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylprop-2-enoyloxy)ethylperoxycarbonyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 175477136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).