2-methylprop-2-enoxymethyl 2-cyclohexylprop-2-enoate

C14H22O3 — CID 170434892

IUPAC2-methylprop-2-enoxymethyl 2-cyclohexylprop-2-enoate
SMILESC=C(C)COCOC(=O)C(=C)C1CCCCC1
InChIInChI=1S/C14H22O3/c1-11(2)9-16-10-17-14(15)12(3)13-7-5-4-6-8-13/h13H,1,3-10H2,2H3
InChIKeyMBRLAMXIJWIJST-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.22
Rot. Bonds6

About 2-methylprop-2-enoxymethyl 2-cyclohexylprop-2-enoate

2-methylprop-2-enoxymethyl 2-cyclohexylprop-2-enoate (PubChem CID 170434892) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-methylprop-2-enoxymethyl 2-cyclohexylprop-2-enoate.

Molecular Properties

Compound Name2-methylprop-2-enoxymethyl 2-cyclohexylprop-2-enoate
PubChem CID170434892
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name2-methylprop-2-enoxymethyl 2-cyclohexylprop-2-enoate
SMILESC=C(C)COCOC(=O)C(=C)C1CCCCC1
InChIInChI=1S/C14H22O3/c1-11(2)9-16-10-17-14(15)12(3)13-7-5-4-6-8-13/h13H,1,3-10H2,2H3
InChIKeyMBRLAMXIJWIJST-UHFFFAOYSA-N
XLogP3.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoxymethyl 2-cyclohexylprop-2-enoate?
The IUPAC name of 2-methylprop-2-enoxymethyl 2-cyclohexylprop-2-enoate (CID 170434892) is 2-methylprop-2-enoxymethyl 2-cyclohexylprop-2-enoate.
What is the SMILES notation for 2-methylprop-2-enoxymethyl 2-cyclohexylprop-2-enoate?
The canonical SMILES for 2-methylprop-2-enoxymethyl 2-cyclohexylprop-2-enoate is C=C(C)COCOC(=O)C(=C)C1CCCCC1.
What is the InChIKey of 2-methylprop-2-enoxymethyl 2-cyclohexylprop-2-enoate?
The InChIKey is MBRLAMXIJWIJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-11(2)9-16-10-17-14(15)12(3)13-7-5-4-6-8-13/h13H,1,3-10H2,2H3.
What are the key properties of 2-methylprop-2-enoxymethyl 2-cyclohexylprop-2-enoate?
2-methylprop-2-enoxymethyl 2-cyclohexylprop-2-enoate has a molecular weight of 238.33 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoxymethyl 2-cyclohexylprop-2-enoate is sourced from PubChem (CID 170434892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).