bis[1-(2-methylprop-2-enoyloxy)propyl] cyclohexane-1,2-dicarboxylate

C22H32O8 — CID 139823116

IUPACbis[1-(2-methylprop-2-enoyloxy)propyl] cyclohexane-1,2-dicarboxylate
SMILESC=C(C)C(=O)OC(CC)OC(=O)C1CCCCC1C(=O)OC(CC)OC(=O)C(=C)C
InChIInChI=1S/C22H32O8/c1-7-17(27-19(23)13(3)4)29-21(25)15-11-9-10-12-16(15)22(26)30-18(8-2)28-20(24)14(5)6/h15-18H,3,5,7-12H2,1-2,4,6H3
InChIKeyBICZMHKSJVKJFG-UHFFFAOYSA-N
MW424.49 g/mol
LogP3.59
Rot. Bonds10

About bis[1-(2-methylprop-2-enoyloxy)propyl] cyclohexane-1,2-dicarboxylate

bis[1-(2-methylprop-2-enoyloxy)propyl] cyclohexane-1,2-dicarboxylate (PubChem CID 139823116) has the molecular formula C22H32O8 and a molecular weight of 424.49 g/mol. Its IUPAC name is bis[1-(2-methylprop-2-enoyloxy)propyl] cyclohexane-1,2-dicarboxylate.

Molecular Properties

Compound Namebis[1-(2-methylprop-2-enoyloxy)propyl] cyclohexane-1,2-dicarboxylate
PubChem CID139823116
Molecular FormulaC22H32O8
Molecular Weight424.49 g/mol
Exact Mass424.21
IUPAC Namebis[1-(2-methylprop-2-enoyloxy)propyl] cyclohexane-1,2-dicarboxylate
SMILESC=C(C)C(=O)OC(CC)OC(=O)C1CCCCC1C(=O)OC(CC)OC(=O)C(=C)C
InChIInChI=1S/C22H32O8/c1-7-17(27-19(23)13(3)4)29-21(25)15-11-9-10-12-16(15)22(26)30-18(8-2)28-20(24)14(5)6/h15-18H,3,5,7-12H2,1-2,4,6H3
InChIKeyBICZMHKSJVKJFG-UHFFFAOYSA-N
XLogP3.59
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze bis[1-(2-methylprop-2-enoyloxy)propyl] cyclohexane-1,2-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis[1-(2-methylprop-2-enoyloxy)propyl] cyclohex-3-ene-1,2-dicarboxylate
CID 139823115
bis(2-methylprop-2-enoyl) cyclohexane-1,2-dicarboxylate
CID 87249059
cis-dipropan-2-yl (1S,2R)-cyclohexane-1,2-dicarboxylate
CID 14849276
1-O-ethyl 2-O-[2-(2-methylprop-2-enoyloxy)ethyl] cyclohexane-1,2-dicarboxylate
CID 151718599
2-methylprop-1-ene;propyl 2-methylperoxycarbonylcyclohexane-1-carboxylate
CID 160929213
1-(3-hydroxypropoxy)propyl 2-methylprop-2-enoate
CID 88728076
bis[2-(2-methylprop-2-enoylperoxy)ethyl] cyclohexane-1,2-dicarboxylate
CID 118237282
1-cyclopentyloxyethyl 2-methylprop-2-enoate
CID 68973043
1-phosphanylpropyl 2-methylprop-2-enoate
CID 155643080
[2-methyl-1-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 139940333
3-cyclohexylpentan-3-yl 2-(2-methylprop-2-enoyloxy)butanoate
CID 67522933
[2-(cyclohexylamino)-2-methylpropyl] 2-methylprop-2-enoate
CID 139637207

Frequently Asked Questions

What is the IUPAC name of bis[1-(2-methylprop-2-enoyloxy)propyl] cyclohexane-1,2-dicarboxylate?
The IUPAC name of bis[1-(2-methylprop-2-enoyloxy)propyl] cyclohexane-1,2-dicarboxylate (CID 139823116) is bis[1-(2-methylprop-2-enoyloxy)propyl] cyclohexane-1,2-dicarboxylate.
What is the SMILES notation for bis[1-(2-methylprop-2-enoyloxy)propyl] cyclohexane-1,2-dicarboxylate?
The canonical SMILES for bis[1-(2-methylprop-2-enoyloxy)propyl] cyclohexane-1,2-dicarboxylate is C=C(C)C(=O)OC(CC)OC(=O)C1CCCCC1C(=O)OC(CC)OC(=O)C(=C)C.
What is the InChIKey of bis[1-(2-methylprop-2-enoyloxy)propyl] cyclohexane-1,2-dicarboxylate?
The InChIKey is BICZMHKSJVKJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O8/c1-7-17(27-19(23)13(3)4)29-21(25)15-11-9-10-12-16(15)22(26)30-18(8-2)28-20(24)14(5)6/h15-18H,3,5,7-12H2,1-2,4,6H3.
What are the key properties of bis[1-(2-methylprop-2-enoyloxy)propyl] cyclohexane-1,2-dicarboxylate?
bis[1-(2-methylprop-2-enoyloxy)propyl] cyclohexane-1,2-dicarboxylate has a molecular weight of 424.49 g/mol, XLogP of 3.59, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[1-(2-methylprop-2-enoyloxy)propyl] cyclohexane-1,2-dicarboxylate is sourced from PubChem (CID 139823116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).