cyclohexyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate

C20H30O6 — CID 70601226

IUPACcyclohexyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCCCC1.C=C(C)C(=O)OCCOC(=O)C(=C)C
InChIInChI=1S/C10H14O4.C10H16O2/c1-7(2)9(11)13-5-6-14-10(12)8(3)4;1-8(2)10(11)12-9-6-4-3-5-7-9/h1,3,5-6H2,2,4H3;9H,1,3-7H2,2H3
InChIKeyVXJXCOAGUNIDCA-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.66
Rot. Bonds7

About cyclohexyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate

cyclohexyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate (PubChem CID 70601226) has the molecular formula C20H30O6 and a molecular weight of 366.45 g/mol. Its IUPAC name is cyclohexyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namecyclohexyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
PubChem CID70601226
Molecular FormulaC20H30O6
Molecular Weight366.45 g/mol
Exact Mass366.20
IUPAC Namecyclohexyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCCCC1.C=C(C)C(=O)OCCOC(=O)C(=C)C
InChIInChI=1S/C10H14O4.C10H16O2/c1-7(2)9(11)13-5-6-14-10(12)8(3)4;1-8(2)10(11)12-9-6-4-3-5-7-9/h1,3,5-6H2,2,4H3;9H,1,3-7H2,2H3
InChIKeyVXJXCOAGUNIDCA-UHFFFAOYSA-N
XLogP3.66
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.66
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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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate?
The IUPAC name of cyclohexyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate (CID 70601226) is cyclohexyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for cyclohexyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate?
The canonical SMILES for cyclohexyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC1CCCCC1.C=C(C)C(=O)OCCOC(=O)C(=C)C.
What is the InChIKey of cyclohexyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate?
The InChIKey is VXJXCOAGUNIDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4.C10H16O2/c1-7(2)9(11)13-5-6-14-10(12)8(3)4;1-8(2)10(11)12-9-6-4-3-5-7-9/h1,3,5-6H2,2,4H3;9H,1,3-7H2,2H3.
What are the key properties of cyclohexyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate?
cyclohexyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate has a molecular weight of 366.45 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 70601226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).