5-(2-cyclohexa-1,3-dien-1-ylethyl)cyclohexa-1,2,4-triene

C14H16 — CID 123964059

IUPAC5-(2-cyclohexa-1,3-dien-1-ylethyl)cyclohexa-1,2,4-triene
SMILESC1=CC=C(CCC2=CC=CCC2)CC=1
InChIInChI=1S/C14H16/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1,3,5-7,9H,4,8,10-12H2
InChIKeyIEKLYSYWYKELOI-UHFFFAOYSA-N
MW184.28 g/mol
LogP4.08
Rot. Bonds3

About 5-(2-cyclohexa-1,3-dien-1-ylethyl)cyclohexa-1,2,4-triene

5-(2-cyclohexa-1,3-dien-1-ylethyl)cyclohexa-1,2,4-triene (PubChem CID 123964059) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is 5-(2-cyclohexa-1,3-dien-1-ylethyl)cyclohexa-1,2,4-triene.

Molecular Properties

Compound Name5-(2-cyclohexa-1,3-dien-1-ylethyl)cyclohexa-1,2,4-triene
PubChem CID123964059
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Name5-(2-cyclohexa-1,3-dien-1-ylethyl)cyclohexa-1,2,4-triene
SMILESC1=CC=C(CCC2=CC=CCC2)CC=1
InChIInChI=1S/C14H16/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1,3,5-7,9H,4,8,10-12H2
InChIKeyIEKLYSYWYKELOI-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene
CID 12744927
5-ethylcyclohexa-1,2,4-triene
CID 154006426
4-cyclohexa-1,3-dien-1-ylbutane-1-thiol
CID 118054352
2-cyclohexa-1,3-dien-1-ylethylbenzene;ethane;hydroiodide
CID 142152565
1-(2-nitroethyl)cyclohexa-1,3-diene
CID 166040137
1-(4-methylpentyl)cyclohexa-1,3-diene
CID 19795456
O-(cyclohexa-1,3-dien-1-ylmethyl)hydroxylamine
CID 142053932
1-amino-3-cyclohexa-1,3-dien-1-ylpropan-2-one
CID 156648608
1-cyclohexa-1,3-dien-1-ylpropan-2-ol
CID 14937169
1-(chloromethoxymethyl)cyclohexa-1,3-diene
CID 90055907
1-(2-chloroethyl)cyclopenta-1,3-diene
CID 67710755
(6R)-3-(2-cyclohexa-1,3-dien-1-ylethyl)-6,8-dimethyl-8-azabicyclo[3.2.1]octane
CID 163688291

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexa-1,3-dien-1-ylethyl)cyclohexa-1,2,4-triene?
The IUPAC name of 5-(2-cyclohexa-1,3-dien-1-ylethyl)cyclohexa-1,2,4-triene (CID 123964059) is 5-(2-cyclohexa-1,3-dien-1-ylethyl)cyclohexa-1,2,4-triene.
What is the SMILES notation for 5-(2-cyclohexa-1,3-dien-1-ylethyl)cyclohexa-1,2,4-triene?
The canonical SMILES for 5-(2-cyclohexa-1,3-dien-1-ylethyl)cyclohexa-1,2,4-triene is C1=CC=C(CCC2=CC=CCC2)CC=1.
What is the InChIKey of 5-(2-cyclohexa-1,3-dien-1-ylethyl)cyclohexa-1,2,4-triene?
The InChIKey is IEKLYSYWYKELOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1,3,5-7,9H,4,8,10-12H2.
What are the key properties of 5-(2-cyclohexa-1,3-dien-1-ylethyl)cyclohexa-1,2,4-triene?
5-(2-cyclohexa-1,3-dien-1-ylethyl)cyclohexa-1,2,4-triene has a molecular weight of 184.28 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexa-1,3-dien-1-ylethyl)cyclohexa-1,2,4-triene is sourced from PubChem (CID 123964059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).