methyl 2-(2-cyclohexyloxycarbonylprop-2-enoxymethyl)prop-2-enoate

C15H22O5 — CID 19795054

IUPACmethyl 2-(2-cyclohexyloxycarbonylprop-2-enoxymethyl)prop-2-enoate
SMILESC=C(COCC(=C)C(=O)OC1CCCCC1)C(=O)OC
InChIInChI=1S/C15H22O5/c1-11(14(16)18-3)9-19-10-12(2)15(17)20-13-7-5-4-6-8-13/h13H,1-2,4-10H2,3H3
InChIKeyZJKUMZFVTNRNPJ-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.16
Rot. Bonds7

About methyl 2-(2-cyclohexyloxycarbonylprop-2-enoxymethyl)prop-2-enoate

methyl 2-(2-cyclohexyloxycarbonylprop-2-enoxymethyl)prop-2-enoate (PubChem CID 19795054) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is methyl 2-(2-cyclohexyloxycarbonylprop-2-enoxymethyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-(2-cyclohexyloxycarbonylprop-2-enoxymethyl)prop-2-enoate
PubChem CID19795054
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Namemethyl 2-(2-cyclohexyloxycarbonylprop-2-enoxymethyl)prop-2-enoate
SMILESC=C(COCC(=C)C(=O)OC1CCCCC1)C(=O)OC
InChIInChI=1S/C15H22O5/c1-11(14(16)18-3)9-19-10-12(2)15(17)20-13-7-5-4-6-8-13/h13H,1-2,4-10H2,3H3
InChIKeyZJKUMZFVTNRNPJ-UHFFFAOYSA-N
XLogP2.16
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-cyclohexyloxycarbonylprop-2-enoxymethyl)prop-2-enoate?
The IUPAC name of methyl 2-(2-cyclohexyloxycarbonylprop-2-enoxymethyl)prop-2-enoate (CID 19795054) is methyl 2-(2-cyclohexyloxycarbonylprop-2-enoxymethyl)prop-2-enoate.
What is the SMILES notation for methyl 2-(2-cyclohexyloxycarbonylprop-2-enoxymethyl)prop-2-enoate?
The canonical SMILES for methyl 2-(2-cyclohexyloxycarbonylprop-2-enoxymethyl)prop-2-enoate is C=C(COCC(=C)C(=O)OC1CCCCC1)C(=O)OC.
What is the InChIKey of methyl 2-(2-cyclohexyloxycarbonylprop-2-enoxymethyl)prop-2-enoate?
The InChIKey is ZJKUMZFVTNRNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-11(14(16)18-3)9-19-10-12(2)15(17)20-13-7-5-4-6-8-13/h13H,1-2,4-10H2,3H3.
What are the key properties of methyl 2-(2-cyclohexyloxycarbonylprop-2-enoxymethyl)prop-2-enoate?
methyl 2-(2-cyclohexyloxycarbonylprop-2-enoxymethyl)prop-2-enoate has a molecular weight of 282.34 g/mol, XLogP of 2.16, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-cyclohexyloxycarbonylprop-2-enoxymethyl)prop-2-enoate is sourced from PubChem (CID 19795054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).