[(E)-2-cyclohexa-2,3,5-trien-1-ylethenyl]benzene

C14H12 — CID 123362882

IUPAC[(E)-2-cyclohexa-2,3,5-trien-1-ylethenyl]benzene
SMILESC1=CC=CC(/C=C/c2ccccc2)C=1
InChIInChI=1S/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-5,7-12,14H/b12-11+
InChIKeySEMUVICYLXENOO-VAWYXSNFSA-N
MW180.25 g/mol
LogP3.60
Rot. Bonds2

About [(E)-2-cyclohexa-2,3,5-trien-1-ylethenyl]benzene

[(E)-2-cyclohexa-2,3,5-trien-1-ylethenyl]benzene (PubChem CID 123362882) has the molecular formula C14H12 and a molecular weight of 180.25 g/mol. Its IUPAC name is [(E)-2-cyclohexa-2,3,5-trien-1-ylethenyl]benzene.

Molecular Properties

Compound Name[(E)-2-cyclohexa-2,3,5-trien-1-ylethenyl]benzene
PubChem CID123362882
Molecular FormulaC14H12
Molecular Weight180.25 g/mol
Exact Mass180.09
IUPAC Name[(E)-2-cyclohexa-2,3,5-trien-1-ylethenyl]benzene
SMILESC1=CC=CC(/C=C/c2ccccc2)C=1
InChIInChI=1S/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-5,7-12,14H/b12-11+
InChIKeySEMUVICYLXENOO-VAWYXSNFSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 70567885
CID 70567885
CID 70569152
CID 70569152
2-[(E)-2-phenylethenyl]cyclobutan-1-one
CID 131241395
4-phenylbuta-1,3-dienylbenzene
CID 162273071
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[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
disodium;hydride;(E)-stilbene
CID 173089328
2-[(E)-2-phenylethenyl]cyclopropan-1-amine
CID 122640920
2-[(E)-2-phenylethenyl]cyclopropan-1-one
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3-[(E)-2-phenylethenyl]oxetane
CID 132578776

Frequently Asked Questions

What is the IUPAC name of [(E)-2-cyclohexa-2,3,5-trien-1-ylethenyl]benzene?
The IUPAC name of [(E)-2-cyclohexa-2,3,5-trien-1-ylethenyl]benzene (CID 123362882) is [(E)-2-cyclohexa-2,3,5-trien-1-ylethenyl]benzene.
What is the SMILES notation for [(E)-2-cyclohexa-2,3,5-trien-1-ylethenyl]benzene?
The canonical SMILES for [(E)-2-cyclohexa-2,3,5-trien-1-ylethenyl]benzene is C1=CC=CC(/C=C/c2ccccc2)C=1.
What is the InChIKey of [(E)-2-cyclohexa-2,3,5-trien-1-ylethenyl]benzene?
The InChIKey is SEMUVICYLXENOO-VAWYXSNFSA-N. The full InChI is InChI=1S/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-5,7-12,14H/b12-11+.
What are the key properties of [(E)-2-cyclohexa-2,3,5-trien-1-ylethenyl]benzene?
[(E)-2-cyclohexa-2,3,5-trien-1-ylethenyl]benzene has a molecular weight of 180.25 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-cyclohexa-2,3,5-trien-1-ylethenyl]benzene is sourced from PubChem (CID 123362882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).