(Z)-pentacos-16-ene-2,4-dione

C25H46O2 — CID 15463583

IUPAC(Z)-pentacos-16-ene-2,4-dione
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)CC(C)=O
InChIInChI=1S/C25H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(27)23-24(2)26/h10-11H,3-9,12-23H2,1-2H3/b11-10-
InChIKeyMDFRVEWZNNVTRI-KHPPLWFESA-N
MW378.64 g/mol
LogP8.13
Rot. Bonds21

About (Z)-pentacos-16-ene-2,4-dione

(Z)-pentacos-16-ene-2,4-dione (PubChem CID 15463583) has the molecular formula C25H46O2 and a molecular weight of 378.64 g/mol. Its IUPAC name is (Z)-pentacos-16-ene-2,4-dione.

Molecular Properties

Compound Name(Z)-pentacos-16-ene-2,4-dione
PubChem CID15463583
Molecular FormulaC25H46O2
Molecular Weight378.64 g/mol
Exact Mass378.35
IUPAC Name(Z)-pentacos-16-ene-2,4-dione
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)CC(C)=O
InChIInChI=1S/C25H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(27)23-24(2)26/h10-11H,3-9,12-23H2,1-2H3/b11-10-
InChIKeyMDFRVEWZNNVTRI-KHPPLWFESA-N
XLogP8.13
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.64
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-pentacos-16-ene-2,4-dione?
The IUPAC name of (Z)-pentacos-16-ene-2,4-dione (CID 15463583) is (Z)-pentacos-16-ene-2,4-dione.
What is the SMILES notation for (Z)-pentacos-16-ene-2,4-dione?
The canonical SMILES for (Z)-pentacos-16-ene-2,4-dione is CCCCCCCC/C=C\CCCCCCCCCCCC(=O)CC(C)=O.
What is the InChIKey of (Z)-pentacos-16-ene-2,4-dione?
The InChIKey is MDFRVEWZNNVTRI-KHPPLWFESA-N. The full InChI is InChI=1S/C25H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(27)23-24(2)26/h10-11H,3-9,12-23H2,1-2H3/b11-10-.
What are the key properties of (Z)-pentacos-16-ene-2,4-dione?
(Z)-pentacos-16-ene-2,4-dione has a molecular weight of 378.64 g/mol, XLogP of 8.13, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-pentacos-16-ene-2,4-dione is sourced from PubChem (CID 15463583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).