(5-prop-2-enoyloxy-5-prop-1-enylocta-2,6-dien-4-yl) prop-2-enoate

C17H22O4 — CID 87847268

IUPAC(5-prop-2-enoyloxy-5-prop-1-enylocta-2,6-dien-4-yl) prop-2-enoate
SMILESC=CC(=O)OC(C=CC)C(C=CC)(C=CC)OC(=O)C=C
InChIInChI=1S/C17H22O4/c1-6-11-14(20-15(18)9-4)17(12-7-2,13-8-3)21-16(19)10-5/h6-14H,4-5H2,1-3H3
InChIKeyIYEFFNPMUXEVFF-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.28
Rot. Bonds8

About (5-prop-2-enoyloxy-5-prop-1-enylocta-2,6-dien-4-yl) prop-2-enoate

(5-prop-2-enoyloxy-5-prop-1-enylocta-2,6-dien-4-yl) prop-2-enoate (PubChem CID 87847268) has the molecular formula C17H22O4 and a molecular weight of 290.36 g/mol. Its IUPAC name is (5-prop-2-enoyloxy-5-prop-1-enylocta-2,6-dien-4-yl) prop-2-enoate.

Molecular Properties

Compound Name(5-prop-2-enoyloxy-5-prop-1-enylocta-2,6-dien-4-yl) prop-2-enoate
PubChem CID87847268
Molecular FormulaC17H22O4
Molecular Weight290.36 g/mol
Exact Mass290.15
IUPAC Name(5-prop-2-enoyloxy-5-prop-1-enylocta-2,6-dien-4-yl) prop-2-enoate
SMILESC=CC(=O)OC(C=CC)C(C=CC)(C=CC)OC(=O)C=C
InChIInChI=1S/C17H22O4/c1-6-11-14(20-15(18)9-4)17(12-7-2,13-8-3)21-16(19)10-5/h6-14H,4-5H2,1-3H3
InChIKeyIYEFFNPMUXEVFF-UHFFFAOYSA-N
XLogP3.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.28
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 (5-prop-2-enoyloxy-5-prop-1-enylocta-2,6-dien-4-yl) prop-2-enoate?
The IUPAC name of (5-prop-2-enoyloxy-5-prop-1-enylocta-2,6-dien-4-yl) prop-2-enoate (CID 87847268) is (5-prop-2-enoyloxy-5-prop-1-enylocta-2,6-dien-4-yl) prop-2-enoate.
What is the SMILES notation for (5-prop-2-enoyloxy-5-prop-1-enylocta-2,6-dien-4-yl) prop-2-enoate?
The canonical SMILES for (5-prop-2-enoyloxy-5-prop-1-enylocta-2,6-dien-4-yl) prop-2-enoate is C=CC(=O)OC(C=CC)C(C=CC)(C=CC)OC(=O)C=C.
What is the InChIKey of (5-prop-2-enoyloxy-5-prop-1-enylocta-2,6-dien-4-yl) prop-2-enoate?
The InChIKey is IYEFFNPMUXEVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O4/c1-6-11-14(20-15(18)9-4)17(12-7-2,13-8-3)21-16(19)10-5/h6-14H,4-5H2,1-3H3.
What are the key properties of (5-prop-2-enoyloxy-5-prop-1-enylocta-2,6-dien-4-yl) prop-2-enoate?
(5-prop-2-enoyloxy-5-prop-1-enylocta-2,6-dien-4-yl) prop-2-enoate has a molecular weight of 290.36 g/mol, XLogP of 3.28, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-prop-2-enoyloxy-5-prop-1-enylocta-2,6-dien-4-yl) prop-2-enoate is sourced from PubChem (CID 87847268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).