[cyclohexyl(prop-2-enoyloxy)methyl] prop-2-enoate

C13H18O4 — CID 141454858

IUPAC[cyclohexyl(prop-2-enoyloxy)methyl] prop-2-enoate
SMILESC=CC(=O)OC(OC(=O)C=C)C1CCCCC1
InChIInChI=1S/C13H18O4/c1-3-11(14)16-13(17-12(15)4-2)10-8-6-5-7-9-10/h3-4,10,13H,1-2,5-9H2
InChIKeyHEXQOKZXEGNJFO-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.35
Rot. Bonds5

About [cyclohexyl(prop-2-enoyloxy)methyl] prop-2-enoate

[cyclohexyl(prop-2-enoyloxy)methyl] prop-2-enoate (PubChem CID 141454858) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is [cyclohexyl(prop-2-enoyloxy)methyl] prop-2-enoate.

Molecular Properties

Compound Name[cyclohexyl(prop-2-enoyloxy)methyl] prop-2-enoate
PubChem CID141454858
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name[cyclohexyl(prop-2-enoyloxy)methyl] prop-2-enoate
SMILESC=CC(=O)OC(OC(=O)C=C)C1CCCCC1
InChIInChI=1S/C13H18O4/c1-3-11(14)16-13(17-12(15)4-2)10-8-6-5-7-9-10/h3-4,10,13H,1-2,5-9H2
InChIKeyHEXQOKZXEGNJFO-UHFFFAOYSA-N
XLogP2.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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(prop-2-enoyloxy)methyl] prop-2-enoate?
The IUPAC name of [cyclohexyl(prop-2-enoyloxy)methyl] prop-2-enoate (CID 141454858) is [cyclohexyl(prop-2-enoyloxy)methyl] prop-2-enoate.
What is the SMILES notation for [cyclohexyl(prop-2-enoyloxy)methyl] prop-2-enoate?
The canonical SMILES for [cyclohexyl(prop-2-enoyloxy)methyl] prop-2-enoate is C=CC(=O)OC(OC(=O)C=C)C1CCCCC1.
What is the InChIKey of [cyclohexyl(prop-2-enoyloxy)methyl] prop-2-enoate?
The InChIKey is HEXQOKZXEGNJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-3-11(14)16-13(17-12(15)4-2)10-8-6-5-7-9-10/h3-4,10,13H,1-2,5-9H2.
What are the key properties of [cyclohexyl(prop-2-enoyloxy)methyl] prop-2-enoate?
[cyclohexyl(prop-2-enoyloxy)methyl] prop-2-enoate has a molecular weight of 238.28 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexyl(prop-2-enoyloxy)methyl] prop-2-enoate is sourced from PubChem (CID 141454858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).