2-[1-(4-oxohex-5-enoxy)-1-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate

C19H28O8 — CID 166734103

IUPAC2-[1-(4-oxohex-5-enoxy)-1-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate
SMILESC=CC(=O)CCCOC(CC)(OCCOC(=O)C=C)OCCOC(=O)C=C
InChIInChI=1S/C19H28O8/c1-5-16(20)10-9-11-25-19(8-4,26-14-12-23-17(21)6-2)27-15-13-24-18(22)7-3/h5-7H,1-3,8-15H2,4H3
InChIKeyPQNWVGPCEVHFEY-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.09
Rot. Bonds17

About 2-[1-(4-oxohex-5-enoxy)-1-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate

2-[1-(4-oxohex-5-enoxy)-1-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate (PubChem CID 166734103) has the molecular formula C19H28O8 and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-[1-(4-oxohex-5-enoxy)-1-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[1-(4-oxohex-5-enoxy)-1-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate
PubChem CID166734103
Molecular FormulaC19H28O8
Molecular Weight384.43 g/mol
Exact Mass384.18
IUPAC Name2-[1-(4-oxohex-5-enoxy)-1-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate
SMILESC=CC(=O)CCCOC(CC)(OCCOC(=O)C=C)OCCOC(=O)C=C
InChIInChI=1S/C19H28O8/c1-5-16(20)10-9-11-25-19(8-4,26-14-12-23-17(21)6-2)27-15-13-24-18(22)7-3/h5-7H,1-3,8-15H2,4H3
InChIKeyPQNWVGPCEVHFEY-UHFFFAOYSA-N
XLogP2.09
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2-[1-(4-oxohex-5-enoxy)-1-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[1-(4-oxohex-5-enoxy)-1-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate (CID 166734103) is 2-[1-(4-oxohex-5-enoxy)-1-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[1-(4-oxohex-5-enoxy)-1-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[1-(4-oxohex-5-enoxy)-1-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate is C=CC(=O)CCCOC(CC)(OCCOC(=O)C=C)OCCOC(=O)C=C.
What is the InChIKey of 2-[1-(4-oxohex-5-enoxy)-1-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate?
The InChIKey is PQNWVGPCEVHFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O8/c1-5-16(20)10-9-11-25-19(8-4,26-14-12-23-17(21)6-2)27-15-13-24-18(22)7-3/h5-7H,1-3,8-15H2,4H3.
What are the key properties of 2-[1-(4-oxohex-5-enoxy)-1-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate?
2-[1-(4-oxohex-5-enoxy)-1-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate has a molecular weight of 384.43 g/mol, XLogP of 2.09, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-oxohex-5-enoxy)-1-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate is sourced from PubChem (CID 166734103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).