About (Z)-4-hydroxy-5-[2-[2-[2-[(Z)-2-hydroxy-4-oxopent-2-enoxy]ethoxy]phenoxy]ethoxy]pent-3-en-2-one
(Z)-4-hydroxy-5-[2-[2-[2-[(Z)-2-hydroxy-4-oxopent-2-enoxy]ethoxy]phenoxy]ethoxy]pent-3-en-2-one (PubChem CID 15789588) has the molecular formula C20H26O8
and a molecular weight of 394.42 g/mol. Its IUPAC name is (Z)-4-hydroxy-5-[2-[2-[2-[(Z)-2-hydroxy-4-oxopent-2-enoxy]ethoxy]phenoxy]ethoxy]pent-3-en-2-one.
Molecular Properties
| Compound Name | (Z)-4-hydroxy-5-[2-[2-[2-[(Z)-2-hydroxy-4-oxopent-2-enoxy]ethoxy]phenoxy]ethoxy]pent-3-en-2-one |
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| PubChem CID | 15789588 |
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| Molecular Formula | C20H26O8 |
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| Molecular Weight | 394.42 g/mol |
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| Exact Mass | 394.16 |
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| IUPAC Name | (Z)-4-hydroxy-5-[2-[2-[2-[(Z)-2-hydroxy-4-oxopent-2-enoxy]ethoxy]phenoxy]ethoxy]pent-3-en-2-one |
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| SMILES | CC(=O)/C=C(\O)COCCOc1ccccc1OCCOC/C(O)=C/C(C)=O |
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| InChI | InChI=1S/C20H26O8/c1-15(21)11-17(23)13-25-7-9-27-19-5-3-4-6-20(19)28-10-8-26-14-18(24)12-16(2)22/h3-6,11-12,23-24H,7-10,13-14H2,1-2H3/b17-11-,18-12- |
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| InChIKey | KEHBBGSRWKHPJJ-WHYMJUELSA-N |
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| XLogP | 2.54 |
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| TPSA | 111.52 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 14 |
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| Heavy Atoms | 28 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 394.42 |
| LogP ≤ 5 | 2.54 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', '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 (Z)-4-hydroxy-5-[2-[2-[2-[(Z)-2-hydroxy-4-oxopent-2-enoxy]ethoxy]phenoxy]ethoxy]pent-3-en-2-one?
The IUPAC name of (Z)-4-hydroxy-5-[2-[2-[2-[(Z)-2-hydroxy-4-oxopent-2-enoxy]ethoxy]phenoxy]ethoxy]pent-3-en-2-one (CID 15789588) is (Z)-4-hydroxy-5-[2-[2-[2-[(Z)-2-hydroxy-4-oxopent-2-enoxy]ethoxy]phenoxy]ethoxy]pent-3-en-2-one.
What is the SMILES notation for (Z)-4-hydroxy-5-[2-[2-[2-[(Z)-2-hydroxy-4-oxopent-2-enoxy]ethoxy]phenoxy]ethoxy]pent-3-en-2-one?
The canonical SMILES for (Z)-4-hydroxy-5-[2-[2-[2-[(Z)-2-hydroxy-4-oxopent-2-enoxy]ethoxy]phenoxy]ethoxy]pent-3-en-2-one is CC(=O)/C=C(\O)COCCOc1ccccc1OCCOC/C(O)=C/C(C)=O.
What is the InChIKey of (Z)-4-hydroxy-5-[2-[2-[2-[(Z)-2-hydroxy-4-oxopent-2-enoxy]ethoxy]phenoxy]ethoxy]pent-3-en-2-one?
The InChIKey is KEHBBGSRWKHPJJ-WHYMJUELSA-N. The full InChI is InChI=1S/C20H26O8/c1-15(21)11-17(23)13-25-7-9-27-19-5-3-4-6-20(19)28-10-8-26-14-18(24)12-16(2)22/h3-6,11-12,23-24H,7-10,13-14H2,1-2H3/b17-11-,18-12-.
What are the key properties of (Z)-4-hydroxy-5-[2-[2-[2-[(Z)-2-hydroxy-4-oxopent-2-enoxy]ethoxy]phenoxy]ethoxy]pent-3-en-2-one?
(Z)-4-hydroxy-5-[2-[2-[2-[(Z)-2-hydroxy-4-oxopent-2-enoxy]ethoxy]phenoxy]ethoxy]pent-3-en-2-one has a molecular weight of 394.42 g/mol, XLogP of 2.54, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-hydroxy-5-[2-[2-[2-[(Z)-2-hydroxy-4-oxopent-2-enoxy]ethoxy]phenoxy]ethoxy]pent-3-en-2-one is sourced from PubChem (CID 15789588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).