(2Z,7Z)-cyclononadeca-2,7-diene-1,9-dione

C19H30O2 — CID 23567733

IUPAC(2Z,7Z)-cyclononadeca-2,7-diene-1,9-dione
SMILESO=C1/C=C\CCC/C=C\C(=O)CCCCCCCCCC1
InChIInChI=1S/C19H30O2/c20-18-14-10-6-3-1-2-4-7-11-15-19(21)17-13-9-5-8-12-16-18/h12-13,16-17H,1-11,14-15H2/b16-12-,17-13-
InChIKeyXUCZBVRBMWVBTI-MCOFMCJXSA-N
MW290.45 g/mol
LogP5.32
Rot. Bonds

About (2Z,7Z)-cyclononadeca-2,7-diene-1,9-dione

(2Z,7Z)-cyclononadeca-2,7-diene-1,9-dione (PubChem CID 23567733) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is (2Z,7Z)-cyclononadeca-2,7-diene-1,9-dione.

Molecular Properties

Compound Name(2Z,7Z)-cyclononadeca-2,7-diene-1,9-dione
PubChem CID23567733
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name(2Z,7Z)-cyclononadeca-2,7-diene-1,9-dione
SMILESO=C1/C=C\CCC/C=C\C(=O)CCCCCCCCCC1
InChIInChI=1S/C19H30O2/c20-18-14-10-6-3-1-2-4-7-11-15-19(21)17-13-9-5-8-12-16-18/h12-13,16-17H,1-11,14-15H2/b16-12-,17-13-
InChIKeyXUCZBVRBMWVBTI-MCOFMCJXSA-N
XLogP5.32
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(2E)-cyclononadec-2-en-1-one
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(2E,6E)-cyclooctadeca-2,6-diene-1,8-dione
CID 58620253
(2Z,6E)-cyclooctadeca-2,6-diene-1,8-dione
CID 23567736
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CID 21391808
CID 68518361
CID 68518361
cyclohex-2-en-1-one;piperidine
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(8E)-bicyclo[12.1.0]pentadec-8-en-7-one
CID 87257523
(2Z,8E)-cycloundeca-2,8-dien-1-one
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Frequently Asked Questions

What is the IUPAC name of (2Z,7Z)-cyclononadeca-2,7-diene-1,9-dione?
The IUPAC name of (2Z,7Z)-cyclononadeca-2,7-diene-1,9-dione (CID 23567733) is (2Z,7Z)-cyclononadeca-2,7-diene-1,9-dione.
What is the SMILES notation for (2Z,7Z)-cyclononadeca-2,7-diene-1,9-dione?
The canonical SMILES for (2Z,7Z)-cyclononadeca-2,7-diene-1,9-dione is O=C1/C=C\CCC/C=C\C(=O)CCCCCCCCCC1.
What is the InChIKey of (2Z,7Z)-cyclononadeca-2,7-diene-1,9-dione?
The InChIKey is XUCZBVRBMWVBTI-MCOFMCJXSA-N. The full InChI is InChI=1S/C19H30O2/c20-18-14-10-6-3-1-2-4-7-11-15-19(21)17-13-9-5-8-12-16-18/h12-13,16-17H,1-11,14-15H2/b16-12-,17-13-.
What are the key properties of (2Z,7Z)-cyclononadeca-2,7-diene-1,9-dione?
(2Z,7Z)-cyclononadeca-2,7-diene-1,9-dione has a molecular weight of 290.45 g/mol, XLogP of 5.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,7Z)-cyclononadeca-2,7-diene-1,9-dione is sourced from PubChem (CID 23567733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).