(8Z)-cycloheptadec-8-ene-1,2-dione

C17H28O2 — CID 70189599

IUPAC(8Z)-cycloheptadec-8-ene-1,2-dione
SMILESO=C1CCCCC/C=C\CCCCCCCCC1=O
InChIInChI=1S/C17H28O2/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17(16)19/h2,4H,1,3,5-15H2/b4-2-
InChIKeyODYATELJIZULHQ-RQOWECAXSA-N
MW264.41 g/mol
LogP4.77
Rot. Bonds

About (8Z)-cycloheptadec-8-ene-1,2-dione

(8Z)-cycloheptadec-8-ene-1,2-dione (PubChem CID 70189599) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is (8Z)-cycloheptadec-8-ene-1,2-dione.

Molecular Properties

Compound Name(8Z)-cycloheptadec-8-ene-1,2-dione
PubChem CID70189599
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name(8Z)-cycloheptadec-8-ene-1,2-dione
SMILESO=C1CCCCC/C=C\CCCCCCCCC1=O
InChIInChI=1S/C17H28O2/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17(16)19/h2,4H,1,3,5-15H2/b4-2-
InChIKeyODYATELJIZULHQ-RQOWECAXSA-N
XLogP4.77
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8Z)-cycloheptadec-8-ene-1,2-dione?
The IUPAC name of (8Z)-cycloheptadec-8-ene-1,2-dione (CID 70189599) is (8Z)-cycloheptadec-8-ene-1,2-dione.
What is the SMILES notation for (8Z)-cycloheptadec-8-ene-1,2-dione?
The canonical SMILES for (8Z)-cycloheptadec-8-ene-1,2-dione is O=C1CCCCC/C=C\CCCCCCCCC1=O.
What is the InChIKey of (8Z)-cycloheptadec-8-ene-1,2-dione?
The InChIKey is ODYATELJIZULHQ-RQOWECAXSA-N. The full InChI is InChI=1S/C17H28O2/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17(16)19/h2,4H,1,3,5-15H2/b4-2-.
What are the key properties of (8Z)-cycloheptadec-8-ene-1,2-dione?
(8Z)-cycloheptadec-8-ene-1,2-dione has a molecular weight of 264.41 g/mol, XLogP of 4.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-cycloheptadec-8-ene-1,2-dione is sourced from PubChem (CID 70189599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).