bis[1-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl] cyclohexane-1,4-dicarboxylate

C24H36O10 — CID 101466549

IUPACbis[1-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl] cyclohexane-1,4-dicarboxylate
SMILESC=C(C)C(=O)OCCOC(C)OC(=O)C1CCC(C(=O)OC(C)OCCOC(=O)C(=C)C)CC1
InChIInChI=1S/C24H36O10/c1-15(2)21(25)31-13-11-29-17(5)33-23(27)19-7-9-20(10-8-19)24(28)34-18(6)30-12-14-32-22(26)16(3)4/h17-20H,1,3,7-14H2,2,4-6H3
InChIKeyHARQHPQHPFKUMX-UHFFFAOYSA-N
MW484.54 g/mol
LogP2.84
Rot. Bonds14

About bis[1-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl] cyclohexane-1,4-dicarboxylate

bis[1-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl] cyclohexane-1,4-dicarboxylate (PubChem CID 101466549) has the molecular formula C24H36O10 and a molecular weight of 484.54 g/mol. Its IUPAC name is bis[1-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl] cyclohexane-1,4-dicarboxylate.

Molecular Properties

Compound Namebis[1-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl] cyclohexane-1,4-dicarboxylate
PubChem CID101466549
Molecular FormulaC24H36O10
Molecular Weight484.54 g/mol
Exact Mass484.23
IUPAC Namebis[1-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl] cyclohexane-1,4-dicarboxylate
SMILESC=C(C)C(=O)OCCOC(C)OC(=O)C1CCC(C(=O)OC(C)OCCOC(=O)C(=C)C)CC1
InChIInChI=1S/C24H36O10/c1-15(2)21(25)31-13-11-29-17(5)33-23(27)19-7-9-20(10-8-19)24(28)34-18(6)30-12-14-32-22(26)16(3)4/h17-20H,1,3,7-14H2,2,4-6H3
InChIKeyHARQHPQHPFKUMX-UHFFFAOYSA-N
XLogP2.84
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.54
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1-propanoyloxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 170637718
2-(1-propan-2-yloxyethoxy)ethyl 2-methylprop-2-enoate
CID 15529247
1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 2-O-propan-2-yl oxalate
CID 166723292
methyl 4-[4-[3-methyl-5-(2-methylprop-2-enoyloxy)pentoxy]carbonylcyclohexyl]cyclohexane-1-carboxylate
CID 155644210
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-[2-[2-[2-(1-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 174649038
3-(2-methylprop-2-enoyloxy)propyl 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate
CID 163620581
propan-2-yl cyclopropanecarboxylate
CID 550170
1-butoxyethyl 8-(2-methylprop-2-enoyloxy)tricyclo[5.2.1.02,6]decane-4-carboxylate
CID 139888972
2-(2-methylprop-2-enoyloxy)ethyl 2-methylidenebutanoate
CID 87287527
3-(1-silyloxyethoxy)propyl 2-methylprop-2-enoate
CID 173268591
2-[1-(diaminomethylideneamino)ethoxy]ethyl 2-methylprop-2-enoate
CID 146337147

Frequently Asked Questions

What is the IUPAC name of bis[1-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl] cyclohexane-1,4-dicarboxylate?
The IUPAC name of bis[1-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl] cyclohexane-1,4-dicarboxylate (CID 101466549) is bis[1-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl] cyclohexane-1,4-dicarboxylate.
What is the SMILES notation for bis[1-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl] cyclohexane-1,4-dicarboxylate?
The canonical SMILES for bis[1-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl] cyclohexane-1,4-dicarboxylate is C=C(C)C(=O)OCCOC(C)OC(=O)C1CCC(C(=O)OC(C)OCCOC(=O)C(=C)C)CC1.
What is the InChIKey of bis[1-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl] cyclohexane-1,4-dicarboxylate?
The InChIKey is HARQHPQHPFKUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O10/c1-15(2)21(25)31-13-11-29-17(5)33-23(27)19-7-9-20(10-8-19)24(28)34-18(6)30-12-14-32-22(26)16(3)4/h17-20H,1,3,7-14H2,2,4-6H3.
What are the key properties of bis[1-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl] cyclohexane-1,4-dicarboxylate?
bis[1-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl] cyclohexane-1,4-dicarboxylate has a molecular weight of 484.54 g/mol, XLogP of 2.84, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis[1-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl] cyclohexane-1,4-dicarboxylate is sourced from PubChem (CID 101466549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).