2-[2-(6-prop-2-enoyloxyhexanoyloxy)ethoxy]ethyl 6-prop-2-enoyloxyhexanoate

C22H34O9 — CID 58807582

IUPAC2-[2-(6-prop-2-enoyloxyhexanoyloxy)ethoxy]ethyl 6-prop-2-enoyloxyhexanoate
SMILESC=CC(=O)OCCCCCC(=O)OCCOCCOC(=O)CCCCCOC(=O)C=C
InChIInChI=1S/C22H34O9/c1-3-19(23)28-13-9-5-7-11-21(25)30-17-15-27-16-18-31-22(26)12-8-6-10-14-29-20(24)4-2/h3-4H,1-2,5-18H2
InChIKeyDUQNDYKOASNMBY-UHFFFAOYSA-N
MW442.51 g/mol
LogP2.67
Rot. Bonds20

About 2-[2-(6-prop-2-enoyloxyhexanoyloxy)ethoxy]ethyl 6-prop-2-enoyloxyhexanoate

2-[2-(6-prop-2-enoyloxyhexanoyloxy)ethoxy]ethyl 6-prop-2-enoyloxyhexanoate (PubChem CID 58807582) has the molecular formula C22H34O9 and a molecular weight of 442.51 g/mol. Its IUPAC name is 2-[2-(6-prop-2-enoyloxyhexanoyloxy)ethoxy]ethyl 6-prop-2-enoyloxyhexanoate.

Molecular Properties

Compound Name2-[2-(6-prop-2-enoyloxyhexanoyloxy)ethoxy]ethyl 6-prop-2-enoyloxyhexanoate
PubChem CID58807582
Molecular FormulaC22H34O9
Molecular Weight442.51 g/mol
Exact Mass442.22
IUPAC Name2-[2-(6-prop-2-enoyloxyhexanoyloxy)ethoxy]ethyl 6-prop-2-enoyloxyhexanoate
SMILESC=CC(=O)OCCCCCC(=O)OCCOCCOC(=O)CCCCCOC(=O)C=C
InChIInChI=1S/C22H34O9/c1-3-19(23)28-13-9-5-7-11-21(25)30-17-15-27-16-18-31-22(26)12-8-6-10-14-29-20(24)4-2/h3-4H,1-2,5-18H2
InChIKeyDUQNDYKOASNMBY-UHFFFAOYSA-N
XLogP2.67
TPSA114.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-[2-(6-prop-2-enoyloxyhexanoyloxy)ethoxy]ethyl 6-prop-2-enoyloxyhexanoate?
The IUPAC name of 2-[2-(6-prop-2-enoyloxyhexanoyloxy)ethoxy]ethyl 6-prop-2-enoyloxyhexanoate (CID 58807582) is 2-[2-(6-prop-2-enoyloxyhexanoyloxy)ethoxy]ethyl 6-prop-2-enoyloxyhexanoate.
What is the SMILES notation for 2-[2-(6-prop-2-enoyloxyhexanoyloxy)ethoxy]ethyl 6-prop-2-enoyloxyhexanoate?
The canonical SMILES for 2-[2-(6-prop-2-enoyloxyhexanoyloxy)ethoxy]ethyl 6-prop-2-enoyloxyhexanoate is C=CC(=O)OCCCCCC(=O)OCCOCCOC(=O)CCCCCOC(=O)C=C.
What is the InChIKey of 2-[2-(6-prop-2-enoyloxyhexanoyloxy)ethoxy]ethyl 6-prop-2-enoyloxyhexanoate?
The InChIKey is DUQNDYKOASNMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O9/c1-3-19(23)28-13-9-5-7-11-21(25)30-17-15-27-16-18-31-22(26)12-8-6-10-14-29-20(24)4-2/h3-4H,1-2,5-18H2.
What are the key properties of 2-[2-(6-prop-2-enoyloxyhexanoyloxy)ethoxy]ethyl 6-prop-2-enoyloxyhexanoate?
2-[2-(6-prop-2-enoyloxyhexanoyloxy)ethoxy]ethyl 6-prop-2-enoyloxyhexanoate has a molecular weight of 442.51 g/mol, XLogP of 2.67, 20 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-prop-2-enoyloxyhexanoyloxy)ethoxy]ethyl 6-prop-2-enoyloxyhexanoate is sourced from PubChem (CID 58807582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).