(1Z,3Z,5Z,7Z)-1,2,3,4,5,6,7,8-octabutylcycloocta-1,3,5,7-tetraene

C40H72 — CID 11541284

IUPAC(1Z,3Z,5Z,7Z)-1,2,3,4,5,6,7,8-octabutylcycloocta-1,3,5,7-tetraene
SMILESCCCCC1=C(CCCC)/C(CCCC)=C(CCCC)\C(CCCC)=C(CCCC)/C(CCCC)=C\1CCCC
InChIInChI=1S/C40H72/c1-9-17-25-33-34(26-18-10-2)36(28-20-12-4)38(30-22-14-6)40(32-24-16-8)39(31-23-15-7)37(29-21-13-5)35(33)27-19-11-3/h9-32H2,1-8H3/b34-33-,35-33-,36-34-,37-35-,38-36-,39-37-,40-38-,40-39-
InChIKeyKJNQFNSRSZZIIL-XTLDVCJBSA-N
MW553.02 g/mol
LogP14.71
Rot. Bonds24

About (1Z,3Z,5Z,7Z)-1,2,3,4,5,6,7,8-octabutylcycloocta-1,3,5,7-tetraene

(1Z,3Z,5Z,7Z)-1,2,3,4,5,6,7,8-octabutylcycloocta-1,3,5,7-tetraene (PubChem CID 11541284) has the molecular formula C40H72 and a molecular weight of 553.02 g/mol. Its IUPAC name is (1Z,3Z,5Z,7Z)-1,2,3,4,5,6,7,8-octabutylcycloocta-1,3,5,7-tetraene.

Molecular Properties

Compound Name(1Z,3Z,5Z,7Z)-1,2,3,4,5,6,7,8-octabutylcycloocta-1,3,5,7-tetraene
PubChem CID11541284
Molecular FormulaC40H72
Molecular Weight553.02 g/mol
Exact Mass552.56
IUPAC Name(1Z,3Z,5Z,7Z)-1,2,3,4,5,6,7,8-octabutylcycloocta-1,3,5,7-tetraene
SMILESCCCCC1=C(CCCC)/C(CCCC)=C(CCCC)\C(CCCC)=C(CCCC)/C(CCCC)=C\1CCCC
InChIInChI=1S/C40H72/c1-9-17-25-33-34(26-18-10-2)36(28-20-12-4)38(30-22-14-6)40(32-24-16-8)39(31-23-15-7)37(29-21-13-5)35(33)27-19-11-3/h9-32H2,1-8H3/b34-33-,35-33-,36-34-,37-35-,38-36-,39-37-,40-38-,40-39-
InChIKeyKJNQFNSRSZZIIL-XTLDVCJBSA-N
XLogP14.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.02
LogP ≤ 514.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1Z,3Z,5Z,7Z)-1,2,3,4,5,6,7,8-octabutylcycloocta-1,3,5,7-tetraene with MolForge

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Related Compounds

5,6-Dibutyl-dec-5-ene
CID 11807167
5,8-Dibutyldodeca-5,7-diene
CID 13639295
8-Hexadecene, 8,9-diheptyl-
CID 634521
(+)-(e)-1,2-Dipentylcyclododecene
CID 13102001
2,2'-Dimethyl-1,1'-bi(cyclooctene)
CID 13554123
6,9-Dipentyltetradeca-6,8-diene
CID 85652530
(1Z)-1,2-dipentylcyclooctene
CID 134983640
7,8-Diethyltetradec-7-ene
CID 53634076
9,10-Dimethylicos-9-ene
CID 86104511
Octapropylcyclooctatetraene
CID 6312601
6,7-Dibutyldodeca-5,7-diene
CID 10875610
(1Z,3Z,5Z,7Z)-1,2,3,4,5,6,7,8-octaethylcycloocta-1,3,5,7-tetraene
CID 10892817

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z,5Z,7Z)-1,2,3,4,5,6,7,8-octabutylcycloocta-1,3,5,7-tetraene?
The IUPAC name of (1Z,3Z,5Z,7Z)-1,2,3,4,5,6,7,8-octabutylcycloocta-1,3,5,7-tetraene (CID 11541284) is (1Z,3Z,5Z,7Z)-1,2,3,4,5,6,7,8-octabutylcycloocta-1,3,5,7-tetraene.
What is the SMILES notation for (1Z,3Z,5Z,7Z)-1,2,3,4,5,6,7,8-octabutylcycloocta-1,3,5,7-tetraene?
The canonical SMILES for (1Z,3Z,5Z,7Z)-1,2,3,4,5,6,7,8-octabutylcycloocta-1,3,5,7-tetraene is CCCCC1=C(CCCC)/C(CCCC)=C(CCCC)\C(CCCC)=C(CCCC)/C(CCCC)=C\1CCCC.
What is the InChIKey of (1Z,3Z,5Z,7Z)-1,2,3,4,5,6,7,8-octabutylcycloocta-1,3,5,7-tetraene?
The InChIKey is KJNQFNSRSZZIIL-XTLDVCJBSA-N. The full InChI is InChI=1S/C40H72/c1-9-17-25-33-34(26-18-10-2)36(28-20-12-4)38(30-22-14-6)40(32-24-16-8)39(31-23-15-7)37(29-21-13-5)35(33)27-19-11-3/h9-32H2,1-8H3/b34-33-,35-33-,36-34-,37-35-,38-36-,39-37-,40-38-,40-39-.
What are the key properties of (1Z,3Z,5Z,7Z)-1,2,3,4,5,6,7,8-octabutylcycloocta-1,3,5,7-tetraene?
(1Z,3Z,5Z,7Z)-1,2,3,4,5,6,7,8-octabutylcycloocta-1,3,5,7-tetraene has a molecular weight of 553.02 g/mol, XLogP of 14.71, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,5Z,7Z)-1,2,3,4,5,6,7,8-octabutylcycloocta-1,3,5,7-tetraene is sourced from PubChem (CID 11541284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).