(1Z,3E)-3-[(3Z)-cycloocta-1,3-dien-1-yl]cycloocta-1,3,5-triene

C16H20 — CID 173104583

IUPAC(1Z,3E)-3-[(3Z)-cycloocta-1,3-dien-1-yl]cycloocta-1,3,5-triene
SMILESC1=CCC/C=C\C(C2=C/C=C\CCCC2)=C/1
InChIInChI=1S/C16H20/c1-3-7-11-15(12-8-4-1)16-13-9-5-2-6-10-14-16/h3,5,7-9,11-13H,1-2,4,6,10,14H2/b7-3?,9-5-,12-8-,15-11+,16-13?
InChIKeyFULBMDGIZDAQJC-OSFGPMNISA-N
MW212.34 g/mol
LogP4.88
Rot. Bonds1

About (1Z,3E)-3-[(3Z)-cycloocta-1,3-dien-1-yl]cycloocta-1,3,5-triene

(1Z,3E)-3-[(3Z)-cycloocta-1,3-dien-1-yl]cycloocta-1,3,5-triene (PubChem CID 173104583) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is (1Z,3E)-3-[(3Z)-cycloocta-1,3-dien-1-yl]cycloocta-1,3,5-triene.

Molecular Properties

Compound Name(1Z,3E)-3-[(3Z)-cycloocta-1,3-dien-1-yl]cycloocta-1,3,5-triene
PubChem CID173104583
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name(1Z,3E)-3-[(3Z)-cycloocta-1,3-dien-1-yl]cycloocta-1,3,5-triene
SMILESC1=CCC/C=C\C(C2=C/C=C\CCCC2)=C/1
InChIInChI=1S/C16H20/c1-3-7-11-15(12-8-4-1)16-13-9-5-2-6-10-14-16/h3,5,7-9,11-13H,1-2,4,6,10,14H2/b7-3?,9-5-,12-8-,15-11+,16-13?
InChIKeyFULBMDGIZDAQJC-OSFGPMNISA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1Z,3E)-3-[(3Z)-cycloocta-1,3-dien-1-yl]cycloocta-1,3,5-triene with MolForge

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Related Compounds

1-cyclodeca-1,3-dien-1-ylcyclodeca-1,3-diene
CID 54521470
(3Z,5Z)-2-[(3E)-cyclonona-1,3-dien-1-yl]cyclonona-1,3,5-triene
CID 173380174
(3Z)-2-(cyclononen-1-yl)cyclonona-1,3-diene
CID 173204255
(1E,3Z)-cycloocta-1,3-dien-1-amine
CID 22286865
(1Z,3Z)-1-methylcyclodeca-1,3-diene
CID 142058765
1-methylcyclodeca-1,3-diene
CID 123810679
(1E,3Z)-N,N-dimethylcycloocta-1,3-dien-1-amine
CID 129236531
1-ethynylcyclonona-1,3-diene
CID 123985924
cycloundeca-1,3-diene-1-carbaldehyde
CID 91339803
(6E,10Z)-cyclopentadeca-6,10-dien-1-one
CID 12036583
7-cyclohepta-1,3-dien-1-yl-1-methyl-2,3-dihydrophosphepine
CID 154277815
2-cycloocta-1,3-dien-1-yl-1-cycloocta-1,3,5-trien-1-yl-3-(cycloocten-1-yl)cycloocta-1,3,5,7-tetraene
CID 91348685

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-3-[(3Z)-cycloocta-1,3-dien-1-yl]cycloocta-1,3,5-triene?
The IUPAC name of (1Z,3E)-3-[(3Z)-cycloocta-1,3-dien-1-yl]cycloocta-1,3,5-triene (CID 173104583) is (1Z,3E)-3-[(3Z)-cycloocta-1,3-dien-1-yl]cycloocta-1,3,5-triene.
What is the SMILES notation for (1Z,3E)-3-[(3Z)-cycloocta-1,3-dien-1-yl]cycloocta-1,3,5-triene?
The canonical SMILES for (1Z,3E)-3-[(3Z)-cycloocta-1,3-dien-1-yl]cycloocta-1,3,5-triene is C1=CCC/C=C\C(C2=C/C=C\CCCC2)=C/1.
What is the InChIKey of (1Z,3E)-3-[(3Z)-cycloocta-1,3-dien-1-yl]cycloocta-1,3,5-triene?
The InChIKey is FULBMDGIZDAQJC-OSFGPMNISA-N. The full InChI is InChI=1S/C16H20/c1-3-7-11-15(12-8-4-1)16-13-9-5-2-6-10-14-16/h3,5,7-9,11-13H,1-2,4,6,10,14H2/b7-3?,9-5-,12-8-,15-11+,16-13?.
What are the key properties of (1Z,3E)-3-[(3Z)-cycloocta-1,3-dien-1-yl]cycloocta-1,3,5-triene?
(1Z,3E)-3-[(3Z)-cycloocta-1,3-dien-1-yl]cycloocta-1,3,5-triene has a molecular weight of 212.34 g/mol, XLogP of 4.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-3-[(3Z)-cycloocta-1,3-dien-1-yl]cycloocta-1,3,5-triene is sourced from PubChem (CID 173104583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).