(3-ethyl-5-methyl-3-prop-2-enoyloxyhex-5-enyl) prop-2-enoate

C15H22O4 — CID 166648463

IUPAC(3-ethyl-5-methyl-3-prop-2-enoyloxyhex-5-enyl) prop-2-enoate
SMILESC=CC(=O)OCCC(CC)(CC(=C)C)OC(=O)C=C
InChIInChI=1S/C15H22O4/c1-6-13(16)18-10-9-15(8-3,11-12(4)5)19-14(17)7-2/h6-7H,1-2,4,8-11H2,3,5H3
InChIKeyVWXFZIPMPHHZCX-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.95
Rot. Bonds9

About (3-ethyl-5-methyl-3-prop-2-enoyloxyhex-5-enyl) prop-2-enoate

(3-ethyl-5-methyl-3-prop-2-enoyloxyhex-5-enyl) prop-2-enoate (PubChem CID 166648463) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is (3-ethyl-5-methyl-3-prop-2-enoyloxyhex-5-enyl) prop-2-enoate.

Molecular Properties

Compound Name(3-ethyl-5-methyl-3-prop-2-enoyloxyhex-5-enyl) prop-2-enoate
PubChem CID166648463
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name(3-ethyl-5-methyl-3-prop-2-enoyloxyhex-5-enyl) prop-2-enoate
SMILESC=CC(=O)OCCC(CC)(CC(=C)C)OC(=O)C=C
InChIInChI=1S/C15H22O4/c1-6-13(16)18-10-9-15(8-3,11-12(4)5)19-14(17)7-2/h6-7H,1-2,4,8-11H2,3,5H3
InChIKeyVWXFZIPMPHHZCX-UHFFFAOYSA-N
XLogP2.95
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 (3-ethyl-5-methyl-3-prop-2-enoyloxyhex-5-enyl) prop-2-enoate?
The IUPAC name of (3-ethyl-5-methyl-3-prop-2-enoyloxyhex-5-enyl) prop-2-enoate (CID 166648463) is (3-ethyl-5-methyl-3-prop-2-enoyloxyhex-5-enyl) prop-2-enoate.
What is the SMILES notation for (3-ethyl-5-methyl-3-prop-2-enoyloxyhex-5-enyl) prop-2-enoate?
The canonical SMILES for (3-ethyl-5-methyl-3-prop-2-enoyloxyhex-5-enyl) prop-2-enoate is C=CC(=O)OCCC(CC)(CC(=C)C)OC(=O)C=C.
What is the InChIKey of (3-ethyl-5-methyl-3-prop-2-enoyloxyhex-5-enyl) prop-2-enoate?
The InChIKey is VWXFZIPMPHHZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-6-13(16)18-10-9-15(8-3,11-12(4)5)19-14(17)7-2/h6-7H,1-2,4,8-11H2,3,5H3.
What are the key properties of (3-ethyl-5-methyl-3-prop-2-enoyloxyhex-5-enyl) prop-2-enoate?
(3-ethyl-5-methyl-3-prop-2-enoyloxyhex-5-enyl) prop-2-enoate has a molecular weight of 266.34 g/mol, XLogP of 2.95, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-5-methyl-3-prop-2-enoyloxyhex-5-enyl) prop-2-enoate is sourced from PubChem (CID 166648463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).