1-ethenyl-2-hexylanthracene

C22H24 — CID 18927849

IUPAC1-ethenyl-2-hexylanthracene
SMILESC=Cc1c(CCCCCC)ccc2cc3ccccc3cc12
InChIInChI=1S/C22H24/c1-3-5-6-7-10-17-13-14-20-15-18-11-8-9-12-19(18)16-22(20)21(17)4-2/h4,8-9,11-16H,2-3,5-7,10H2,1H3
InChIKeyLHWQPCPVFPVGIW-UHFFFAOYSA-N
MW288.43 g/mol
LogP6.76
Rot. Bonds6

About 1-ethenyl-2-hexylanthracene

1-ethenyl-2-hexylanthracene (PubChem CID 18927849) has the molecular formula C22H24 and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-ethenyl-2-hexylanthracene.

Molecular Properties

Compound Name1-ethenyl-2-hexylanthracene
PubChem CID18927849
Molecular FormulaC22H24
Molecular Weight288.43 g/mol
Exact Mass288.19
IUPAC Name1-ethenyl-2-hexylanthracene
SMILESC=Cc1c(CCCCCC)ccc2cc3ccccc3cc12
InChIInChI=1S/C22H24/c1-3-5-6-7-10-17-13-14-20-15-18-11-8-9-12-19(18)16-22(20)21(17)4-2/h4,8-9,11-16H,2-3,5-7,10H2,1H3
InChIKeyLHWQPCPVFPVGIW-UHFFFAOYSA-N
XLogP6.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-ethenyl-2-heptylanthracene
CID 173321573
1-dodecylpentacene
CID 141370235
lithium;1-hexylanthracene;hydride
CID 174350658
2-ethenyl-1-heptylanthracene
CID 19033824
1-ethenyl-2-(4-pentylphenyl)tetracene
CID 173173804
2-hexadecylnaphthalene-1-carbaldehyde
CID 141208229
N-dodecyl-2-icosyl-N-octylanthracen-1-amine
CID 141301585
2,3-diheptylanthracene
CID 14089075
1,3-didecyl-2-ethenylbenzene
CID 10572118
2,3-dioctadecylpentacene
CID 91251003
dihydroxy(oxo)phosphanium;1-icosylanthracene
CID 87504793
1-hexylbenzo[a]pyrene
CID 139846085

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-hexylanthracene?
The IUPAC name of 1-ethenyl-2-hexylanthracene (CID 18927849) is 1-ethenyl-2-hexylanthracene.
What is the SMILES notation for 1-ethenyl-2-hexylanthracene?
The canonical SMILES for 1-ethenyl-2-hexylanthracene is C=Cc1c(CCCCCC)ccc2cc3ccccc3cc12.
What is the InChIKey of 1-ethenyl-2-hexylanthracene?
The InChIKey is LHWQPCPVFPVGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24/c1-3-5-6-7-10-17-13-14-20-15-18-11-8-9-12-19(18)16-22(20)21(17)4-2/h4,8-9,11-16H,2-3,5-7,10H2,1H3.
What are the key properties of 1-ethenyl-2-hexylanthracene?
1-ethenyl-2-hexylanthracene has a molecular weight of 288.43 g/mol, XLogP of 6.76, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-hexylanthracene is sourced from PubChem (CID 18927849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).