[(Z)-2-cyclohexa-1,2,5-trien-1-ylethenyl]cyclohexatriene

C14H11+ — CID 101486820

IUPAC[(Z)-2-cyclohexa-1,2,5-trien-1-ylethenyl]cyclohexatriene
SMILESC1=CCC=CC=1/C=C\C1=CC=CC=[C+]1
InChIInChI=1S/C14H11/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1,3-7,9,11-12H,2H2/q+1/b12-11-
InChIKeyTZZRWKJUEYEXQE-QXMHVHEDSA-N
MW179.24 g/mol
LogP3.44
Rot. Bonds2

About [(Z)-2-cyclohexa-1,2,5-trien-1-ylethenyl]cyclohexatriene

[(Z)-2-cyclohexa-1,2,5-trien-1-ylethenyl]cyclohexatriene (PubChem CID 101486820) has the molecular formula C14H11+ and a molecular weight of 179.24 g/mol. Its IUPAC name is [(Z)-2-cyclohexa-1,2,5-trien-1-ylethenyl]cyclohexatriene.

Molecular Properties

Compound Name[(Z)-2-cyclohexa-1,2,5-trien-1-ylethenyl]cyclohexatriene
PubChem CID101486820
Molecular FormulaC14H11+
Molecular Weight179.24 g/mol
Exact Mass179.09
IUPAC Name[(Z)-2-cyclohexa-1,2,5-trien-1-ylethenyl]cyclohexatriene
SMILESC1=CCC=CC=1/C=C\C1=CC=CC=[C+]1
InChIInChI=1S/C14H11/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1,3-7,9,11-12H,2H2/q+1/b12-11-
InChIKeyTZZRWKJUEYEXQE-QXMHVHEDSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

N-(cyclohexatrienylmethyl)-N-(cyclohexa-1,2,5-trien-1-ylmethyl)-2-methylpropan-2-amine
CID 101246717
3-[(1Z)-octa-1,3-dienyl]cyclohexa-1,2,4-triene
CID 100999649
3-methylsulfanylcyclohexa-1,2,4-triene
CID 123407529
3-methylcyclohexa-1,2,4-triene
CID 91064189
bicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene
CID 71437852
3-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]cyclohepta-1,3,5-triene
CID 18343923
cyclohepta-1,3,6-trien-1-amine
CID 141371533
11-methyl-9-oxatricyclo[8.5.0.02,8]pentadeca-1(10),2,3,5,7,11,14-heptaene
CID 143232247
ethane;3-ethoxycyclohepta-1,3,5-triene
CID 142833212
bis(cyclopenta-1,3-diene);samarium
CID 12780607
1-(2-bromoethenyl)cyclohexa-1,3-diene
CID 123972073
3-(disulfanyl)cyclohepta-1,3,5-triene
CID 123978767

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-cyclohexa-1,2,5-trien-1-ylethenyl]cyclohexatriene?
The IUPAC name of [(Z)-2-cyclohexa-1,2,5-trien-1-ylethenyl]cyclohexatriene (CID 101486820) is [(Z)-2-cyclohexa-1,2,5-trien-1-ylethenyl]cyclohexatriene.
What is the SMILES notation for [(Z)-2-cyclohexa-1,2,5-trien-1-ylethenyl]cyclohexatriene?
The canonical SMILES for [(Z)-2-cyclohexa-1,2,5-trien-1-ylethenyl]cyclohexatriene is C1=CCC=CC=1/C=C\C1=CC=CC=[C+]1.
What is the InChIKey of [(Z)-2-cyclohexa-1,2,5-trien-1-ylethenyl]cyclohexatriene?
The InChIKey is TZZRWKJUEYEXQE-QXMHVHEDSA-N. The full InChI is InChI=1S/C14H11/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1,3-7,9,11-12H,2H2/q+1/b12-11-.
What are the key properties of [(Z)-2-cyclohexa-1,2,5-trien-1-ylethenyl]cyclohexatriene?
[(Z)-2-cyclohexa-1,2,5-trien-1-ylethenyl]cyclohexatriene has a molecular weight of 179.24 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-cyclohexa-1,2,5-trien-1-ylethenyl]cyclohexatriene is sourced from PubChem (CID 101486820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).