(3Z,5Z,7Z,9E,11E,13E,15Z,17E,19E,21E,23Z)-cyclooctacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene

C28H32 — CID 173020706

IUPAC(3Z,5Z,7Z,9E,11E,13E,15Z,17E,19E,21E,23Z)-cyclooctacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
SMILESC1=CCCCC/C=C/C=C/C=C/C=C/C=C\C=C\C=C\C=C\C=C/C=C\C=C/1
InChIInChI=1S/C28H32/c1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-27-25-23-21-19-17-15-13-11-9-7-5-3-1/h1-24H,25-28H2/b3-1+,4-2+,7-5-,8-6+,11-9+,12-10-,15-13+,16-14-,19-17+,20-18-,23-21+,24-22?
InChIKeyDECJONLZAQOBGQ-DDBGSPSSSA-N
MW368.56 g/mol
LogP8.23
Rot. Bonds

About (3Z,5Z,7Z,9E,11E,13E,15Z,17E,19E,21E,23Z)-cyclooctacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene

(3Z,5Z,7Z,9E,11E,13E,15Z,17E,19E,21E,23Z)-cyclooctacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene (PubChem CID 173020706) has the molecular formula C28H32 and a molecular weight of 368.56 g/mol. Its IUPAC name is (3Z,5Z,7Z,9E,11E,13E,15Z,17E,19E,21E,23Z)-cyclooctacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene.

Molecular Properties

Compound Name(3Z,5Z,7Z,9E,11E,13E,15Z,17E,19E,21E,23Z)-cyclooctacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
PubChem CID173020706
Molecular FormulaC28H32
Molecular Weight368.56 g/mol
Exact Mass368.25
IUPAC Name(3Z,5Z,7Z,9E,11E,13E,15Z,17E,19E,21E,23Z)-cyclooctacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
SMILESC1=CCCCC/C=C/C=C/C=C/C=C/C=C\C=C\C=C\C=C\C=C/C=C\C=C/1
InChIInChI=1S/C28H32/c1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-27-25-23-21-19-17-15-13-11-9-7-5-3-1/h1-24H,25-28H2/b3-1+,4-2+,7-5-,8-6+,11-9+,12-10-,15-13+,16-14-,19-17+,20-18-,23-21+,24-22?
InChIKeyDECJONLZAQOBGQ-DDBGSPSSSA-N
XLogP8.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.56
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (3Z,5Z,7Z,9E,11E,13E,15Z,17E,19E,21E,23Z)-cyclooctacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z,7Z,9E,11E,13E,15Z,17E,19E,21E,23Z)-cyclooctacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene?
The IUPAC name of (3Z,5Z,7Z,9E,11E,13E,15Z,17E,19E,21E,23Z)-cyclooctacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene (CID 173020706) is (3Z,5Z,7Z,9E,11E,13E,15Z,17E,19E,21E,23Z)-cyclooctacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene.
What is the SMILES notation for (3Z,5Z,7Z,9E,11E,13E,15Z,17E,19E,21E,23Z)-cyclooctacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene?
The canonical SMILES for (3Z,5Z,7Z,9E,11E,13E,15Z,17E,19E,21E,23Z)-cyclooctacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene is C1=CCCCC/C=C/C=C/C=C/C=C/C=C\C=C\C=C\C=C\C=C/C=C\C=C/1.
What is the InChIKey of (3Z,5Z,7Z,9E,11E,13E,15Z,17E,19E,21E,23Z)-cyclooctacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene?
The InChIKey is DECJONLZAQOBGQ-DDBGSPSSSA-N. The full InChI is InChI=1S/C28H32/c1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-27-25-23-21-19-17-15-13-11-9-7-5-3-1/h1-24H,25-28H2/b3-1+,4-2+,7-5-,8-6+,11-9+,12-10-,15-13+,16-14-,19-17+,20-18-,23-21+,24-22?.
What are the key properties of (3Z,5Z,7Z,9E,11E,13E,15Z,17E,19E,21E,23Z)-cyclooctacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene?
(3Z,5Z,7Z,9E,11E,13E,15Z,17E,19E,21E,23Z)-cyclooctacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene has a molecular weight of 368.56 g/mol, XLogP of 8.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,7Z,9E,11E,13E,15Z,17E,19E,21E,23Z)-cyclooctacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene is sourced from PubChem (CID 173020706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).