(1Z)-17-oxabicyclo[12.6.0]icos-1(14)-en-19-one

C19H32O2 — CID 102366173

IUPAC(1Z)-17-oxabicyclo[12.6.0]icos-1(14)-en-19-one
SMILESO=C1COCC/C2=C(/CCCCCCCCCCCC2)C1
InChIInChI=1S/C19H32O2/c20-19-15-18-12-10-8-6-4-2-1-3-5-7-9-11-17(18)13-14-21-16-19/h1-16H2/b18-17-
InChIKeyBZFGDRYNPOSIDA-ZCXUNETKSA-N
MW292.46 g/mol
LogP5.36
Rot. Bonds

About (1Z)-17-oxabicyclo[12.6.0]icos-1(14)-en-19-one

(1Z)-17-oxabicyclo[12.6.0]icos-1(14)-en-19-one (PubChem CID 102366173) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is (1Z)-17-oxabicyclo[12.6.0]icos-1(14)-en-19-one.

Molecular Properties

Compound Name(1Z)-17-oxabicyclo[12.6.0]icos-1(14)-en-19-one
PubChem CID102366173
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name(1Z)-17-oxabicyclo[12.6.0]icos-1(14)-en-19-one
SMILESO=C1COCC/C2=C(/CCCCCCCCCCCC2)C1
InChIInChI=1S/C19H32O2/c20-19-15-18-12-10-8-6-4-2-1-3-5-7-9-11-17(18)13-14-21-16-19/h1-16H2/b18-17-
InChIKeyBZFGDRYNPOSIDA-ZCXUNETKSA-N
XLogP5.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.46
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1,2,3,4,6,7,8,9,10,11,12,13-dodecahydrocyclopenta[12]annulen-5-one
CID 20565982
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CID 168890521
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(7E)-1-oxacyclohexadec-7-en-3-one
CID 10705115
4-(oxan-3-ylidene)piperidine
CID 107138027
(1Z)-bicyclo[10.8.0]icos-1(12)-ene
CID 5377998
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CID 18520727

Frequently Asked Questions

What is the IUPAC name of (1Z)-17-oxabicyclo[12.6.0]icos-1(14)-en-19-one?
The IUPAC name of (1Z)-17-oxabicyclo[12.6.0]icos-1(14)-en-19-one (CID 102366173) is (1Z)-17-oxabicyclo[12.6.0]icos-1(14)-en-19-one.
What is the SMILES notation for (1Z)-17-oxabicyclo[12.6.0]icos-1(14)-en-19-one?
The canonical SMILES for (1Z)-17-oxabicyclo[12.6.0]icos-1(14)-en-19-one is O=C1COCC/C2=C(/CCCCCCCCCCCC2)C1.
What is the InChIKey of (1Z)-17-oxabicyclo[12.6.0]icos-1(14)-en-19-one?
The InChIKey is BZFGDRYNPOSIDA-ZCXUNETKSA-N. The full InChI is InChI=1S/C19H32O2/c20-19-15-18-12-10-8-6-4-2-1-3-5-7-9-11-17(18)13-14-21-16-19/h1-16H2/b18-17-.
What are the key properties of (1Z)-17-oxabicyclo[12.6.0]icos-1(14)-en-19-one?
(1Z)-17-oxabicyclo[12.6.0]icos-1(14)-en-19-one has a molecular weight of 292.46 g/mol, XLogP of 5.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-17-oxabicyclo[12.6.0]icos-1(14)-en-19-one is sourced from PubChem (CID 102366173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).