[2-ethyl-2-(prop-2-enoyloxymethyl)hexyl] prop-2-enoate

C15H24O4 — CID 54398710

IUPAC[2-ethyl-2-(prop-2-enoyloxymethyl)hexyl] prop-2-enoate
SMILESC=CC(=O)OCC(CC)(CCCC)COC(=O)C=C
InChIInChI=1S/C15H24O4/c1-5-9-10-15(8-4,11-18-13(16)6-2)12-19-14(17)7-3/h6-7H,2-3,5,8-12H2,1,4H3
InChIKeyVLVZXTNDRFWYLF-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.03
Rot. Bonds10

About [2-ethyl-2-(prop-2-enoyloxymethyl)hexyl] prop-2-enoate

[2-ethyl-2-(prop-2-enoyloxymethyl)hexyl] prop-2-enoate (PubChem CID 54398710) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is [2-ethyl-2-(prop-2-enoyloxymethyl)hexyl] prop-2-enoate.

Molecular Properties

Compound Name[2-ethyl-2-(prop-2-enoyloxymethyl)hexyl] prop-2-enoate
PubChem CID54398710
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name[2-ethyl-2-(prop-2-enoyloxymethyl)hexyl] prop-2-enoate
SMILESC=CC(=O)OCC(CC)(CCCC)COC(=O)C=C
InChIInChI=1S/C15H24O4/c1-5-9-10-15(8-4,11-18-13(16)6-2)12-19-14(17)7-3/h6-7H,2-3,5,8-12H2,1,4H3
InChIKeyVLVZXTNDRFWYLF-UHFFFAOYSA-N
XLogP3.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 [2-ethyl-2-(prop-2-enoyloxymethyl)hexyl] prop-2-enoate?
The IUPAC name of [2-ethyl-2-(prop-2-enoyloxymethyl)hexyl] prop-2-enoate (CID 54398710) is [2-ethyl-2-(prop-2-enoyloxymethyl)hexyl] prop-2-enoate.
What is the SMILES notation for [2-ethyl-2-(prop-2-enoyloxymethyl)hexyl] prop-2-enoate?
The canonical SMILES for [2-ethyl-2-(prop-2-enoyloxymethyl)hexyl] prop-2-enoate is C=CC(=O)OCC(CC)(CCCC)COC(=O)C=C.
What is the InChIKey of [2-ethyl-2-(prop-2-enoyloxymethyl)hexyl] prop-2-enoate?
The InChIKey is VLVZXTNDRFWYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-5-9-10-15(8-4,11-18-13(16)6-2)12-19-14(17)7-3/h6-7H,2-3,5,8-12H2,1,4H3.
What are the key properties of [2-ethyl-2-(prop-2-enoyloxymethyl)hexyl] prop-2-enoate?
[2-ethyl-2-(prop-2-enoyloxymethyl)hexyl] prop-2-enoate has a molecular weight of 268.35 g/mol, XLogP of 3.03, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-2-(prop-2-enoyloxymethyl)hexyl] prop-2-enoate is sourced from PubChem (CID 54398710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).