1-(2-cyclohexa-1,5-dien-1-ylethenyl)-4-methylbenzene

C15H16 — CID 143018171

IUPAC1-(2-cyclohexa-1,5-dien-1-ylethenyl)-4-methylbenzene
SMILESCc1ccc(C=CC2=CCCC=C2)cc1
InChIInChI=1S/C15H16/c1-13-7-9-15(10-8-13)12-11-14-5-3-2-4-6-14/h3,5-12H,2,4H2,1H3
InChIKeyWMQNDHHKUJESEW-UHFFFAOYSA-N
MW196.29 g/mol
LogP4.28
Rot. Bonds2

About 1-(2-cyclohexa-1,5-dien-1-ylethenyl)-4-methylbenzene

1-(2-cyclohexa-1,5-dien-1-ylethenyl)-4-methylbenzene (PubChem CID 143018171) has the molecular formula C15H16 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(2-cyclohexa-1,5-dien-1-ylethenyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(2-cyclohexa-1,5-dien-1-ylethenyl)-4-methylbenzene
PubChem CID143018171
Molecular FormulaC15H16
Molecular Weight196.29 g/mol
Exact Mass196.13
IUPAC Name1-(2-cyclohexa-1,5-dien-1-ylethenyl)-4-methylbenzene
SMILESCc1ccc(C=CC2=CCCC=C2)cc1
InChIInChI=1S/C15H16/c1-13-7-9-15(10-8-13)12-11-14-5-3-2-4-6-14/h3,5-12H,2,4H2,1H3
InChIKeyWMQNDHHKUJESEW-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexa-1,5-dien-1-ylethenyl)-4-methylbenzene?
The IUPAC name of 1-(2-cyclohexa-1,5-dien-1-ylethenyl)-4-methylbenzene (CID 143018171) is 1-(2-cyclohexa-1,5-dien-1-ylethenyl)-4-methylbenzene.
What is the SMILES notation for 1-(2-cyclohexa-1,5-dien-1-ylethenyl)-4-methylbenzene?
The canonical SMILES for 1-(2-cyclohexa-1,5-dien-1-ylethenyl)-4-methylbenzene is Cc1ccc(C=CC2=CCCC=C2)cc1.
What is the InChIKey of 1-(2-cyclohexa-1,5-dien-1-ylethenyl)-4-methylbenzene?
The InChIKey is WMQNDHHKUJESEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16/c1-13-7-9-15(10-8-13)12-11-14-5-3-2-4-6-14/h3,5-12H,2,4H2,1H3.
What are the key properties of 1-(2-cyclohexa-1,5-dien-1-ylethenyl)-4-methylbenzene?
1-(2-cyclohexa-1,5-dien-1-ylethenyl)-4-methylbenzene has a molecular weight of 196.29 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexa-1,5-dien-1-ylethenyl)-4-methylbenzene is sourced from PubChem (CID 143018171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).