5-[2,3-bis(3-oxopent-4-enoxy)propoxy]pent-1-en-3-one

C18H26O6 — CID 20793325

IUPAC5-[2,3-bis(3-oxopent-4-enoxy)propoxy]pent-1-en-3-one
SMILESC=CC(=O)CCOCC(COCCC(=O)C=C)OCCC(=O)C=C
InChIInChI=1S/C18H26O6/c1-4-15(19)7-10-22-13-18(24-12-9-17(21)6-3)14-23-11-8-16(20)5-2/h4-6,18H,1-3,7-14H2
InChIKeyZXIWQPFTYGPIDD-UHFFFAOYSA-N
MW338.40 g/mol
LogP1.84
Rot. Bonds17

About 5-[2,3-bis(3-oxopent-4-enoxy)propoxy]pent-1-en-3-one

5-[2,3-bis(3-oxopent-4-enoxy)propoxy]pent-1-en-3-one (PubChem CID 20793325) has the molecular formula C18H26O6 and a molecular weight of 338.40 g/mol. Its IUPAC name is 5-[2,3-bis(3-oxopent-4-enoxy)propoxy]pent-1-en-3-one.

Molecular Properties

Compound Name5-[2,3-bis(3-oxopent-4-enoxy)propoxy]pent-1-en-3-one
PubChem CID20793325
Molecular FormulaC18H26O6
Molecular Weight338.40 g/mol
Exact Mass338.17
IUPAC Name5-[2,3-bis(3-oxopent-4-enoxy)propoxy]pent-1-en-3-one
SMILESC=CC(=O)CCOCC(COCCC(=O)C=C)OCCC(=O)C=C
InChIInChI=1S/C18H26O6/c1-4-15(19)7-10-22-13-18(24-12-9-17(21)6-3)14-23-11-8-16(20)5-2/h4-6,18H,1-3,7-14H2
InChIKeyZXIWQPFTYGPIDD-UHFFFAOYSA-N
XLogP1.84
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-[2,3-Bis(2-methyl-3-oxopent-4-enoxy)propoxy]-4-methylpent-1-en-3-one
CID 18684268
5-(2-Hydroxy-3-methoxypropoxy)pent-1-en-3-one
CID 21020032
5-[2-[2-(3-Oxopent-4-enoxy)propoxy]propoxy]pent-1-en-3-one
CID 23458972
5-(2-Methoxyethoxy)pent-1-en-3-one
CID 102927307
5-(Oxetan-3-yloxy)pent-1-en-3-one
CID 118482960
6-[2,3-Bis(4-oxohex-5-enoxy)propoxy]hex-1-en-3-one
CID 145836958
5-(2-Propoxyethoxy)pent-1-en-3-one
CID 144025501

Frequently Asked Questions

What is the IUPAC name of 5-[2,3-bis(3-oxopent-4-enoxy)propoxy]pent-1-en-3-one?
The IUPAC name of 5-[2,3-bis(3-oxopent-4-enoxy)propoxy]pent-1-en-3-one (CID 20793325) is 5-[2,3-bis(3-oxopent-4-enoxy)propoxy]pent-1-en-3-one.
What is the SMILES notation for 5-[2,3-bis(3-oxopent-4-enoxy)propoxy]pent-1-en-3-one?
The canonical SMILES for 5-[2,3-bis(3-oxopent-4-enoxy)propoxy]pent-1-en-3-one is C=CC(=O)CCOCC(COCCC(=O)C=C)OCCC(=O)C=C.
What is the InChIKey of 5-[2,3-bis(3-oxopent-4-enoxy)propoxy]pent-1-en-3-one?
The InChIKey is ZXIWQPFTYGPIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O6/c1-4-15(19)7-10-22-13-18(24-12-9-17(21)6-3)14-23-11-8-16(20)5-2/h4-6,18H,1-3,7-14H2.
What are the key properties of 5-[2,3-bis(3-oxopent-4-enoxy)propoxy]pent-1-en-3-one?
5-[2,3-bis(3-oxopent-4-enoxy)propoxy]pent-1-en-3-one has a molecular weight of 338.40 g/mol, XLogP of 1.84, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,3-bis(3-oxopent-4-enoxy)propoxy]pent-1-en-3-one is sourced from PubChem (CID 20793325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).