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

C16H26O5 — CID 23458972

IUPAC5-[2-[2-(3-oxopent-4-enoxy)propoxy]propoxy]pent-1-en-3-one
SMILESC=CC(=O)CCOCC(C)OCC(C)OCCC(=O)C=C
InChIInChI=1S/C16H26O5/c1-5-15(17)7-9-19-11-13(3)21-12-14(4)20-10-8-16(18)6-2/h5-6,13-14H,1-2,7-12H2,3-4H3
InChIKeyFZDHDYZRWCVFBI-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.10
Rot. Bonds14

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

5-[2-[2-(3-oxopent-4-enoxy)propoxy]propoxy]pent-1-en-3-one (PubChem CID 23458972) has the molecular formula C16H26O5 and a molecular weight of 298.38 g/mol. Its IUPAC name is 5-[2-[2-(3-oxopent-4-enoxy)propoxy]propoxy]pent-1-en-3-one.

Molecular Properties

Compound Name5-[2-[2-(3-oxopent-4-enoxy)propoxy]propoxy]pent-1-en-3-one
PubChem CID23458972
Molecular FormulaC16H26O5
Molecular Weight298.38 g/mol
Exact Mass298.18
IUPAC Name5-[2-[2-(3-oxopent-4-enoxy)propoxy]propoxy]pent-1-en-3-one
SMILESC=CC(=O)CCOCC(C)OCC(C)OCCC(=O)C=C
InChIInChI=1S/C16H26O5/c1-5-15(17)7-9-19-11-13(3)21-12-14(4)20-10-8-16(18)6-2/h5-6,13-14H,1-2,7-12H2,3-4H3
InChIKeyFZDHDYZRWCVFBI-UHFFFAOYSA-N
XLogP2.10
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(3-oxopent-4-enoxy)propoxy]propoxy]pent-1-en-3-one?
The IUPAC name of 5-[2-[2-(3-oxopent-4-enoxy)propoxy]propoxy]pent-1-en-3-one (CID 23458972) is 5-[2-[2-(3-oxopent-4-enoxy)propoxy]propoxy]pent-1-en-3-one.
What is the SMILES notation for 5-[2-[2-(3-oxopent-4-enoxy)propoxy]propoxy]pent-1-en-3-one?
The canonical SMILES for 5-[2-[2-(3-oxopent-4-enoxy)propoxy]propoxy]pent-1-en-3-one is C=CC(=O)CCOCC(C)OCC(C)OCCC(=O)C=C.
What is the InChIKey of 5-[2-[2-(3-oxopent-4-enoxy)propoxy]propoxy]pent-1-en-3-one?
The InChIKey is FZDHDYZRWCVFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O5/c1-5-15(17)7-9-19-11-13(3)21-12-14(4)20-10-8-16(18)6-2/h5-6,13-14H,1-2,7-12H2,3-4H3.
What are the key properties of 5-[2-[2-(3-oxopent-4-enoxy)propoxy]propoxy]pent-1-en-3-one?
5-[2-[2-(3-oxopent-4-enoxy)propoxy]propoxy]pent-1-en-3-one has a molecular weight of 298.38 g/mol, XLogP of 2.10, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(3-oxopent-4-enoxy)propoxy]propoxy]pent-1-en-3-one is sourced from PubChem (CID 23458972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).