1-O-ethyl 2-O-[2-(2-methylprop-2-enoyloxy)ethyl] cyclohexane-1,2-dicarboxylate

C16H24O6 — CID 151718599

IUPAC1-O-ethyl 2-O-[2-(2-methylprop-2-enoyloxy)ethyl] cyclohexane-1,2-dicarboxylate
SMILESC=C(C)C(=O)OCCOC(=O)C1CCCCC1C(=O)OCC
InChIInChI=1S/C16H24O6/c1-4-20-15(18)12-7-5-6-8-13(12)16(19)22-10-9-21-14(17)11(2)3/h12-13H,2,4-10H2,1,3H3
InChIKeyRIBYFYUFZPBFDF-UHFFFAOYSA-N
MW312.36 g/mol
LogP2.02
Rot. Bonds7

About 1-O-ethyl 2-O-[2-(2-methylprop-2-enoyloxy)ethyl] cyclohexane-1,2-dicarboxylate

1-O-ethyl 2-O-[2-(2-methylprop-2-enoyloxy)ethyl] cyclohexane-1,2-dicarboxylate (PubChem CID 151718599) has the molecular formula C16H24O6 and a molecular weight of 312.36 g/mol. Its IUPAC name is 1-O-ethyl 2-O-[2-(2-methylprop-2-enoyloxy)ethyl] cyclohexane-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-ethyl 2-O-[2-(2-methylprop-2-enoyloxy)ethyl] cyclohexane-1,2-dicarboxylate
PubChem CID151718599
Molecular FormulaC16H24O6
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Name1-O-ethyl 2-O-[2-(2-methylprop-2-enoyloxy)ethyl] cyclohexane-1,2-dicarboxylate
SMILESC=C(C)C(=O)OCCOC(=O)C1CCCCC1C(=O)OCC
InChIInChI=1S/C16H24O6/c1-4-20-15(18)12-7-5-6-8-13(12)16(19)22-10-9-21-14(17)11(2)3/h12-13H,2,4-10H2,1,3H3
InChIKeyRIBYFYUFZPBFDF-UHFFFAOYSA-N
XLogP2.02
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bis[2-(2-methylprop-2-enoylperoxy)ethyl] cyclohexane-1,2-dicarboxylate
CID 118237282
2-[2-(2-methylprop-2-enoyloxy)ethylperoxycarbonyl]cyclohexane-1-carboxylic acid
CID 175477136
2-methylprop-1-ene;propyl 2-methylperoxycarbonylcyclohexane-1-carboxylate
CID 160929213
cis-(1R,2S)-2-ethoxycarbonylcyclohexane-1-carboxylate
CID 71423369
2-cyclohexyloxyethyl 2-methylprop-2-enoate
CID 14692693
1-O,4-O-ditert-butyl 2-O-[2-(2-methylprop-2-enoyloxy)ethyl] cyclohexane-1,2,4-tricarboxylate;2-O,4-O-ditert-butyl 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] cyclohexane-1,2,4-tricarboxylate
CID 158408213
2-O-(2-ethoxyethyl) 1-O-methyl cyclohexane-1,2-dicarboxylate
CID 147126734
2-O,4-O-bis(2,2,3,3,4,4,4-heptafluorobutyl) 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] cyclohexane-1,2,4-tricarboxylate
CID 130411650
ethyl 2-methylprop-2-enoate
CID 130475774
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
trans-ethyl (1R,2R)-2-hydroxycyclohexane-1-carboxylate
CID 1268212
trans-ethyl (1S,2S)-2-methylcyclohexane-1-carboxylate
CID 28766550

Frequently Asked Questions

What is the IUPAC name of 1-O-ethyl 2-O-[2-(2-methylprop-2-enoyloxy)ethyl] cyclohexane-1,2-dicarboxylate?
The IUPAC name of 1-O-ethyl 2-O-[2-(2-methylprop-2-enoyloxy)ethyl] cyclohexane-1,2-dicarboxylate (CID 151718599) is 1-O-ethyl 2-O-[2-(2-methylprop-2-enoyloxy)ethyl] cyclohexane-1,2-dicarboxylate.
What is the SMILES notation for 1-O-ethyl 2-O-[2-(2-methylprop-2-enoyloxy)ethyl] cyclohexane-1,2-dicarboxylate?
The canonical SMILES for 1-O-ethyl 2-O-[2-(2-methylprop-2-enoyloxy)ethyl] cyclohexane-1,2-dicarboxylate is C=C(C)C(=O)OCCOC(=O)C1CCCCC1C(=O)OCC.
What is the InChIKey of 1-O-ethyl 2-O-[2-(2-methylprop-2-enoyloxy)ethyl] cyclohexane-1,2-dicarboxylate?
The InChIKey is RIBYFYUFZPBFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O6/c1-4-20-15(18)12-7-5-6-8-13(12)16(19)22-10-9-21-14(17)11(2)3/h12-13H,2,4-10H2,1,3H3.
What are the key properties of 1-O-ethyl 2-O-[2-(2-methylprop-2-enoyloxy)ethyl] cyclohexane-1,2-dicarboxylate?
1-O-ethyl 2-O-[2-(2-methylprop-2-enoyloxy)ethyl] cyclohexane-1,2-dicarboxylate has a molecular weight of 312.36 g/mol, XLogP of 2.02, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-ethyl 2-O-[2-(2-methylprop-2-enoyloxy)ethyl] cyclohexane-1,2-dicarboxylate is sourced from PubChem (CID 151718599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).