(2E,8E)-cycloicosa-2,8-diene-1,10-dione

C20H32O2 — CID 10149582

IUPAC(2E,8E)-cycloicosa-2,8-diene-1,10-dione
SMILESO=C1/C=C/CCCC/C=C/C(=O)CCCCCCCCCC1
InChIInChI=1S/C20H32O2/c21-19-15-11-7-3-1-2-4-8-12-16-20(22)18-14-10-6-5-9-13-17-19/h13-14,17-18H,1-12,15-16H2/b17-13+,18-14+
InChIKeyVOUXTCASKWBCKR-HBKJEHTGSA-N
MW304.47 g/mol
LogP5.71
Rot. Bonds

About (2E,8E)-cycloicosa-2,8-diene-1,10-dione

(2E,8E)-cycloicosa-2,8-diene-1,10-dione (PubChem CID 10149582) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is (2E,8E)-cycloicosa-2,8-diene-1,10-dione.

Molecular Properties

Compound Name(2E,8E)-cycloicosa-2,8-diene-1,10-dione
PubChem CID10149582
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name(2E,8E)-cycloicosa-2,8-diene-1,10-dione
SMILESO=C1/C=C/CCCC/C=C/C(=O)CCCCCCCCCC1
InChIInChI=1S/C20H32O2/c21-19-15-11-7-3-1-2-4-8-12-16-20(22)18-14-10-6-5-9-13-17-19/h13-14,17-18H,1-12,15-16H2/b17-13+,18-14+
InChIKeyVOUXTCASKWBCKR-HBKJEHTGSA-N
XLogP5.71
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.47
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 21391808
CID 68518361
CID 68518361
(2Z,8E)-cycloundeca-2,8-dien-1-one
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Frequently Asked Questions

What is the IUPAC name of (2E,8E)-cycloicosa-2,8-diene-1,10-dione?
The IUPAC name of (2E,8E)-cycloicosa-2,8-diene-1,10-dione (CID 10149582) is (2E,8E)-cycloicosa-2,8-diene-1,10-dione.
What is the SMILES notation for (2E,8E)-cycloicosa-2,8-diene-1,10-dione?
The canonical SMILES for (2E,8E)-cycloicosa-2,8-diene-1,10-dione is O=C1/C=C/CCCC/C=C/C(=O)CCCCCCCCCC1.
What is the InChIKey of (2E,8E)-cycloicosa-2,8-diene-1,10-dione?
The InChIKey is VOUXTCASKWBCKR-HBKJEHTGSA-N. The full InChI is InChI=1S/C20H32O2/c21-19-15-11-7-3-1-2-4-8-12-16-20(22)18-14-10-6-5-9-13-17-19/h13-14,17-18H,1-12,15-16H2/b17-13+,18-14+.
What are the key properties of (2E,8E)-cycloicosa-2,8-diene-1,10-dione?
(2E,8E)-cycloicosa-2,8-diene-1,10-dione has a molecular weight of 304.47 g/mol, XLogP of 5.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,8E)-cycloicosa-2,8-diene-1,10-dione is sourced from PubChem (CID 10149582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).