bis(cyclopenta-1,3-diene);octa-1,5-diene

C18H26 — CID 173396653

IUPACbis(cyclopenta-1,3-diene);octa-1,5-diene
SMILESC1=CCC=C1.C1=CCC=C1.C=CCCC=CCC
InChIInChI=1S/C8H14.2C5H6/c1-3-5-7-8-6-4-2;2*1-2-4-5-3-1/h3,6,8H,1,4-5,7H2,2H3;2*1-4H,5H2
InChIKeyQRLYXLRIXFVQSJ-UHFFFAOYSA-N
MW242.41 g/mol
LogP5.92
Rot. Bonds4

About bis(cyclopenta-1,3-diene);octa-1,5-diene

bis(cyclopenta-1,3-diene);octa-1,5-diene (PubChem CID 173396653) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);octa-1,5-diene.

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);octa-1,5-diene
PubChem CID173396653
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Namebis(cyclopenta-1,3-diene);octa-1,5-diene
SMILESC1=CCC=C1.C1=CCC=C1.C=CCCC=CCC
InChIInChI=1S/C8H14.2C5H6/c1-3-5-7-8-6-4-2;2*1-2-4-5-3-1/h3,6,8H,1,4-5,7H2,2H3;2*1-4H,5H2
InChIKeyQRLYXLRIXFVQSJ-UHFFFAOYSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5Z,9E)-dodeca-1,5,9-triene
CID 173147853
ethene;octa-1,5-diene
CID 175164046
hexadeca-1,5,13-triene
CID 174048718
(3Z,7Z,11Z)-tetradeca-3,7,11-triene
CID 123167975
(7Z)-deca-3,7-diene
CID 173009236
(5E)-deca-1,5,9-triene
CID 5362636
(5E)-nona-1,5-diene
CID 6429608
trideca-1,10-diene
CID 54351837
cyclopenta-1,3-diene;prop-1-ene
CID 21266721
but-1-ene;ethene;(E)-hept-3-ene;pent-1-ene
CID 173073826
cyclopenta-1,3-diene;(3E)-hepta-1,3,6-triene
CID 157104074
(3E,5E,7E,11E)-tetradeca-3,5,7,11-tetraene
CID 173380885

Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,3-diene);octa-1,5-diene?
The IUPAC name of bis(cyclopenta-1,3-diene);octa-1,5-diene (CID 173396653) is bis(cyclopenta-1,3-diene);octa-1,5-diene.
What is the SMILES notation for bis(cyclopenta-1,3-diene);octa-1,5-diene?
The canonical SMILES for bis(cyclopenta-1,3-diene);octa-1,5-diene is C1=CCC=C1.C1=CCC=C1.C=CCCC=CCC.
What is the InChIKey of bis(cyclopenta-1,3-diene);octa-1,5-diene?
The InChIKey is QRLYXLRIXFVQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14.2C5H6/c1-3-5-7-8-6-4-2;2*1-2-4-5-3-1/h3,6,8H,1,4-5,7H2,2H3;2*1-4H,5H2.
What are the key properties of bis(cyclopenta-1,3-diene);octa-1,5-diene?
bis(cyclopenta-1,3-diene);octa-1,5-diene has a molecular weight of 242.41 g/mol, XLogP of 5.92, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,3-diene);octa-1,5-diene is sourced from PubChem (CID 173396653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).