2-[2-(4-oxohex-5-enoxy)-1-prop-2-enoyloxybutan-2-yl]oxyethyl prop-2-enoate

C18H26O7 — CID 140934845

IUPAC2-[2-(4-oxohex-5-enoxy)-1-prop-2-enoyloxybutan-2-yl]oxyethyl prop-2-enoate
SMILESC=CC(=O)CCCOC(CC)(COC(=O)C=C)OCCOC(=O)C=C
InChIInChI=1S/C18H26O7/c1-5-15(19)10-9-11-24-18(8-4,14-23-17(21)7-3)25-13-12-22-16(20)6-2/h5-7H,1-3,8-14H2,4H3
InChIKeyMLUYDRAZPXUNGP-UHFFFAOYSA-N
MW354.40 g/mol
LogP2.12
Rot. Bonds15

About 2-[2-(4-oxohex-5-enoxy)-1-prop-2-enoyloxybutan-2-yl]oxyethyl prop-2-enoate

2-[2-(4-oxohex-5-enoxy)-1-prop-2-enoyloxybutan-2-yl]oxyethyl prop-2-enoate (PubChem CID 140934845) has the molecular formula C18H26O7 and a molecular weight of 354.40 g/mol. Its IUPAC name is 2-[2-(4-oxohex-5-enoxy)-1-prop-2-enoyloxybutan-2-yl]oxyethyl prop-2-enoate.

Molecular Properties

Compound Name2-[2-(4-oxohex-5-enoxy)-1-prop-2-enoyloxybutan-2-yl]oxyethyl prop-2-enoate
PubChem CID140934845
Molecular FormulaC18H26O7
Molecular Weight354.40 g/mol
Exact Mass354.17
IUPAC Name2-[2-(4-oxohex-5-enoxy)-1-prop-2-enoyloxybutan-2-yl]oxyethyl prop-2-enoate
SMILESC=CC(=O)CCCOC(CC)(COC(=O)C=C)OCCOC(=O)C=C
InChIInChI=1S/C18H26O7/c1-5-15(19)10-9-11-24-18(8-4,14-23-17(21)7-3)25-13-12-22-16(20)6-2/h5-7H,1-3,8-14H2,4H3
InChIKeyMLUYDRAZPXUNGP-UHFFFAOYSA-N
XLogP2.12
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-[2-(4-oxohex-5-enoxy)-1-prop-2-enoyloxybutan-2-yl]oxyethyl prop-2-enoate?
The IUPAC name of 2-[2-(4-oxohex-5-enoxy)-1-prop-2-enoyloxybutan-2-yl]oxyethyl prop-2-enoate (CID 140934845) is 2-[2-(4-oxohex-5-enoxy)-1-prop-2-enoyloxybutan-2-yl]oxyethyl prop-2-enoate.
What is the SMILES notation for 2-[2-(4-oxohex-5-enoxy)-1-prop-2-enoyloxybutan-2-yl]oxyethyl prop-2-enoate?
The canonical SMILES for 2-[2-(4-oxohex-5-enoxy)-1-prop-2-enoyloxybutan-2-yl]oxyethyl prop-2-enoate is C=CC(=O)CCCOC(CC)(COC(=O)C=C)OCCOC(=O)C=C.
What is the InChIKey of 2-[2-(4-oxohex-5-enoxy)-1-prop-2-enoyloxybutan-2-yl]oxyethyl prop-2-enoate?
The InChIKey is MLUYDRAZPXUNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O7/c1-5-15(19)10-9-11-24-18(8-4,14-23-17(21)7-3)25-13-12-22-16(20)6-2/h5-7H,1-3,8-14H2,4H3.
What are the key properties of 2-[2-(4-oxohex-5-enoxy)-1-prop-2-enoyloxybutan-2-yl]oxyethyl prop-2-enoate?
2-[2-(4-oxohex-5-enoxy)-1-prop-2-enoyloxybutan-2-yl]oxyethyl prop-2-enoate has a molecular weight of 354.40 g/mol, XLogP of 2.12, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-oxohex-5-enoxy)-1-prop-2-enoyloxybutan-2-yl]oxyethyl prop-2-enoate is sourced from PubChem (CID 140934845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).