2-(2-cyclohexa-2,4-dien-1-ylethenyl)-5-methylcyclohexa-1,3-diene

C15H18 — CID 123434042

IUPAC2-(2-cyclohexa-2,4-dien-1-ylethenyl)-5-methylcyclohexa-1,3-diene
SMILESCC1C=CC(C=CC2C=CC=CC2)=CC1
InChIInChI=1S/C15H18/c1-13-7-9-15(10-8-13)12-11-14-5-3-2-4-6-14/h2-5,7,9-14H,6,8H2,1H3
InChIKeyROCPVTASZXICKH-UHFFFAOYSA-N
MW198.31 g/mol
LogP4.20
Rot. Bonds2

About 2-(2-cyclohexa-2,4-dien-1-ylethenyl)-5-methylcyclohexa-1,3-diene

2-(2-cyclohexa-2,4-dien-1-ylethenyl)-5-methylcyclohexa-1,3-diene (PubChem CID 123434042) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(2-cyclohexa-2,4-dien-1-ylethenyl)-5-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-(2-cyclohexa-2,4-dien-1-ylethenyl)-5-methylcyclohexa-1,3-diene
PubChem CID123434042
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name2-(2-cyclohexa-2,4-dien-1-ylethenyl)-5-methylcyclohexa-1,3-diene
SMILESCC1C=CC(C=CC2C=CC=CC2)=CC1
InChIInChI=1S/C15H18/c1-13-7-9-15(10-8-13)12-11-14-5-3-2-4-6-14/h2-5,7,9-14H,6,8H2,1H3
InChIKeyROCPVTASZXICKH-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(4R)-4-methylcyclohexa-1,5-diene-1-carbaldehyde
CID 89362390
5-[(3Z)-penta-1,3-dienyl]cyclohexa-1,3-diene
CID 143896906
N,N-bis(4-methoxyphenyl)-4-[(E)-2-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]aniline
CID 89020124
5-(2-nitroethenyl)cyclohexa-1,3-diene
CID 70035465
(3Z)-4-cyclohexa-2,4-dien-1-ylbuta-1,3-dien-1-one
CID 134873879
2-fluoro-5-methylcyclohexa-1,3-diene;hydroiodide
CID 143792431
1-(3-cyclohexa-2,4-dien-1-ylprop-2-enoyl)piperidin-4-one
CID 67783386
(1Z,3Z)-5,11-dimethylcyclododeca-1,3-diene
CID 144931103
acetic acid;3-cyclohexa-2,4-dien-1-yl-1-phenylprop-2-en-1-one
CID 175178095
ethane;1-methyl-4-[(Z)-2-(4-methylcyclohexa-1,5-dien-1-yl)-1-(4-propan-2-ylphenyl)ethenyl]benzene
CID 143084783
3-but-2-en-2-yl-8-methylcycloocta-1,3,5-triene
CID 123382258
(5S)-N-[4-[2-[4-[(Z)-2-[4-(N-(3,4-dimethylcyclohexa-2,4-dien-1-yl)-4-methylanilino)phenyl]ethenyl]cyclohexa-2,4-dien-1-yl]ethenyl]cyclohexa-2,4-dien-1-yl]-4,5-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)bicyclo[4.1.0]hept-2-en-2-amine
CID 142384106

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexa-2,4-dien-1-ylethenyl)-5-methylcyclohexa-1,3-diene?
The IUPAC name of 2-(2-cyclohexa-2,4-dien-1-ylethenyl)-5-methylcyclohexa-1,3-diene (CID 123434042) is 2-(2-cyclohexa-2,4-dien-1-ylethenyl)-5-methylcyclohexa-1,3-diene.
What is the SMILES notation for 2-(2-cyclohexa-2,4-dien-1-ylethenyl)-5-methylcyclohexa-1,3-diene?
The canonical SMILES for 2-(2-cyclohexa-2,4-dien-1-ylethenyl)-5-methylcyclohexa-1,3-diene is CC1C=CC(C=CC2C=CC=CC2)=CC1.
What is the InChIKey of 2-(2-cyclohexa-2,4-dien-1-ylethenyl)-5-methylcyclohexa-1,3-diene?
The InChIKey is ROCPVTASZXICKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18/c1-13-7-9-15(10-8-13)12-11-14-5-3-2-4-6-14/h2-5,7,9-14H,6,8H2,1H3.
What are the key properties of 2-(2-cyclohexa-2,4-dien-1-ylethenyl)-5-methylcyclohexa-1,3-diene?
2-(2-cyclohexa-2,4-dien-1-ylethenyl)-5-methylcyclohexa-1,3-diene has a molecular weight of 198.31 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexa-2,4-dien-1-ylethenyl)-5-methylcyclohexa-1,3-diene is sourced from PubChem (CID 123434042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).