5-ethenyl-1,5-dimethylcyclohexa-1,3-diene;hex-1-enylbenzene

C22H30 — CID 173037204

IUPAC5-ethenyl-1,5-dimethylcyclohexa-1,3-diene;hex-1-enylbenzene
SMILESC=CC1(C)C=CC=C(C)C1.CCCCC=Cc1ccccc1
InChIInChI=1S/C12H16.C10H14/c1-2-3-4-6-9-12-10-7-5-8-11-12;1-4-10(3)7-5-6-9(2)8-10/h5-11H,2-4H2,1H3;4-7H,1,8H2,2-3H3
InChIKeyPFSCVFQORPTYBX-UHFFFAOYSA-N
MW294.48 g/mol
LogP6.97
Rot. Bonds5

About 5-ethenyl-1,5-dimethylcyclohexa-1,3-diene;hex-1-enylbenzene

5-ethenyl-1,5-dimethylcyclohexa-1,3-diene;hex-1-enylbenzene (PubChem CID 173037204) has the molecular formula C22H30 and a molecular weight of 294.48 g/mol. Its IUPAC name is 5-ethenyl-1,5-dimethylcyclohexa-1,3-diene;hex-1-enylbenzene.

Molecular Properties

Compound Name5-ethenyl-1,5-dimethylcyclohexa-1,3-diene;hex-1-enylbenzene
PubChem CID173037204
Molecular FormulaC22H30
Molecular Weight294.48 g/mol
Exact Mass294.23
IUPAC Name5-ethenyl-1,5-dimethylcyclohexa-1,3-diene;hex-1-enylbenzene
SMILESC=CC1(C)C=CC=C(C)C1.CCCCC=Cc1ccccc1
InChIInChI=1S/C12H16.C10H14/c1-2-3-4-6-9-12-10-7-5-8-11-12;1-4-10(3)7-5-6-9(2)8-10/h5-11H,2-4H2,1H3;4-7H,1,8H2,2-3H3
InChIKeyPFSCVFQORPTYBX-UHFFFAOYSA-N
XLogP6.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-butyl-2-ethenylbenzene;5-ethenyl-1,5-dimethylcyclohexa-1,3-diene
CID 173037203
hex-1-enylbenzene;prop-1-ene
CID 157442084
5-ethenyl-1,5-dimethylcyclohexa-1,3-diene;1-ethenylnaphthalene
CID 173056594
[(E)-octadec-1-enyl]benzene
CID 22722345
[(3Z)-octa-1,3-dienyl]benzene
CID 154692518
ethane;[(E)-pent-1-enyl]benzene
CID 143265687
6-bromododec-1-enylbenzene
CID 158445223
[(E)-5-bromopent-1-enyl]benzene
CID 10977131
hex-1-ene;toluene
CID 22480689
1,2-bis(ethenyl)benzene;6-bromohex-1-enylbenzene
CID 162211606
oct-1-enylbenzene;phosphoric acid
CID 159316508
[(E)-6-bromohex-1-enyl]benzene
CID 11172477

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1,5-dimethylcyclohexa-1,3-diene;hex-1-enylbenzene?
The IUPAC name of 5-ethenyl-1,5-dimethylcyclohexa-1,3-diene;hex-1-enylbenzene (CID 173037204) is 5-ethenyl-1,5-dimethylcyclohexa-1,3-diene;hex-1-enylbenzene.
What is the SMILES notation for 5-ethenyl-1,5-dimethylcyclohexa-1,3-diene;hex-1-enylbenzene?
The canonical SMILES for 5-ethenyl-1,5-dimethylcyclohexa-1,3-diene;hex-1-enylbenzene is C=CC1(C)C=CC=C(C)C1.CCCCC=Cc1ccccc1.
What is the InChIKey of 5-ethenyl-1,5-dimethylcyclohexa-1,3-diene;hex-1-enylbenzene?
The InChIKey is PFSCVFQORPTYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.C10H14/c1-2-3-4-6-9-12-10-7-5-8-11-12;1-4-10(3)7-5-6-9(2)8-10/h5-11H,2-4H2,1H3;4-7H,1,8H2,2-3H3.
What are the key properties of 5-ethenyl-1,5-dimethylcyclohexa-1,3-diene;hex-1-enylbenzene?
5-ethenyl-1,5-dimethylcyclohexa-1,3-diene;hex-1-enylbenzene has a molecular weight of 294.48 g/mol, XLogP of 6.97, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1,5-dimethylcyclohexa-1,3-diene;hex-1-enylbenzene is sourced from PubChem (CID 173037204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).