(1Z,3E,5E)-cyclododeca-1,3,5-triene;1-ethenylcyclohexene

C20H30 — CID 141453701

IUPAC(1Z,3E,5E)-cyclododeca-1,3,5-triene;1-ethenylcyclohexene
SMILESC1=C\CCCCCC/C=C/C=C/1.C=CC1=CCCCC1
InChIInChI=1S/C12H18.C8H12/c1-2-4-6-8-10-12-11-9-7-5-3-1;1-2-8-6-4-3-5-7-8/h1-6H,7-12H2;2,6H,1,3-5,7H2/b2-1+,5-3-,6-4+;
InChIKeyJMZVLVXXLAOZRX-NKJDJNJASA-N
MW270.46 g/mol
LogP6.68
Rot. Bonds1

About (1Z,3E,5E)-cyclododeca-1,3,5-triene;1-ethenylcyclohexene

(1Z,3E,5E)-cyclododeca-1,3,5-triene;1-ethenylcyclohexene (PubChem CID 141453701) has the molecular formula C20H30 and a molecular weight of 270.46 g/mol. Its IUPAC name is (1Z,3E,5E)-cyclododeca-1,3,5-triene;1-ethenylcyclohexene.

Molecular Properties

Compound Name(1Z,3E,5E)-cyclododeca-1,3,5-triene;1-ethenylcyclohexene
PubChem CID141453701
Molecular FormulaC20H30
Molecular Weight270.46 g/mol
Exact Mass270.23
IUPAC Name(1Z,3E,5E)-cyclododeca-1,3,5-triene;1-ethenylcyclohexene
SMILESC1=C\CCCCCC/C=C/C=C/1.C=CC1=CCCCC1
InChIInChI=1S/C12H18.C8H12/c1-2-4-6-8-10-12-11-9-7-5-3-1;1-2-8-6-4-3-5-7-8/h1-6H,7-12H2;2,6H,1,3-5,7H2/b2-1+,5-3-,6-4+;
InChIKeyJMZVLVXXLAOZRX-NKJDJNJASA-N
XLogP6.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethenylcyclooctene
CID 54012738
1-ethenylcyclohexene;methylidenecyclopropane
CID 159160472
(1E)-cyclononene-1-carbaldehyde
CID 22647283
cyclohenicosa-1,3,5,7,9,11,13-heptaene
CID 90691443
(1E,3Z)-cyclopentadeca-1,3,5-triene
CID 173020556
cycloheptadeca-1,3,5,7-tetraene
CID 91466942
(1E,3E,5Z,7E,9Z,11Z,13E)-cyclopentacosa-1,3,5,7,9,11,13,15-octaene
CID 173020996
(1Z,3Z)-cyclononadeca-1,3,5-triene
CID 173020691
cycloheptacosa-1,3,5,7,9,11,13,15-octaene
CID 91401488
(1E,3E,5Z,7E)-cyclotrideca-1,3,5,7-tetraene
CID 141118570
(3Z,5Z,7Z,9Z,11Z)-cyclohexacosa-1,3,5,7,9,11-hexaene
CID 173020557
(1E,3E,5Z,7Z,9Z,11E)-cyclohenicosa-1,3,5,7,9,11,13-heptaene
CID 173020629

Frequently Asked Questions

What is the IUPAC name of (1Z,3E,5E)-cyclododeca-1,3,5-triene;1-ethenylcyclohexene?
The IUPAC name of (1Z,3E,5E)-cyclododeca-1,3,5-triene;1-ethenylcyclohexene (CID 141453701) is (1Z,3E,5E)-cyclododeca-1,3,5-triene;1-ethenylcyclohexene.
What is the SMILES notation for (1Z,3E,5E)-cyclododeca-1,3,5-triene;1-ethenylcyclohexene?
The canonical SMILES for (1Z,3E,5E)-cyclododeca-1,3,5-triene;1-ethenylcyclohexene is C1=C\CCCCCC/C=C/C=C/1.C=CC1=CCCCC1.
What is the InChIKey of (1Z,3E,5E)-cyclododeca-1,3,5-triene;1-ethenylcyclohexene?
The InChIKey is JMZVLVXXLAOZRX-NKJDJNJASA-N. The full InChI is InChI=1S/C12H18.C8H12/c1-2-4-6-8-10-12-11-9-7-5-3-1;1-2-8-6-4-3-5-7-8/h1-6H,7-12H2;2,6H,1,3-5,7H2/b2-1+,5-3-,6-4+;.
What are the key properties of (1Z,3E,5E)-cyclododeca-1,3,5-triene;1-ethenylcyclohexene?
(1Z,3E,5E)-cyclododeca-1,3,5-triene;1-ethenylcyclohexene has a molecular weight of 270.46 g/mol, XLogP of 6.68, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,5E)-cyclododeca-1,3,5-triene;1-ethenylcyclohexene is sourced from PubChem (CID 141453701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).