2-octylanthracene

C22H26 — CID 23131226

IUPAC2-octylanthracene
SMILESCCCCCCCCc1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C22H26/c1-2-3-4-5-6-7-10-18-13-14-21-16-19-11-8-9-12-20(19)17-22(21)15-18/h8-9,11-17H,2-7,10H2,1H3
InChIKeyKMWZUEHYCNUSJO-UHFFFAOYSA-N
MW290.45 g/mol
LogP6.90
Rot. Bonds7

About 2-octylanthracene

2-octylanthracene (PubChem CID 23131226) has the molecular formula C22H26 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-octylanthracene.

Molecular Properties

Compound Name2-octylanthracene
PubChem CID23131226
Molecular FormulaC22H26
Molecular Weight290.45 g/mol
Exact Mass290.20
IUPAC Name2-octylanthracene
SMILESCCCCCCCCc1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C22H26/c1-2-3-4-5-6-7-10-18-13-14-21-16-19-11-8-9-12-20(19)17-22(21)15-18/h8-9,11-17H,2-7,10H2,1H3
InChIKeyKMWZUEHYCNUSJO-UHFFFAOYSA-N
XLogP6.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 56.90
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

ethane;2-hexylnaphthalene
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2-butylpentacene
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2-butyltetracene
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6,13-dibromo-2-tetracosylpentacene
CID 162372248
18-nonylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15(20),16,18,21-undecaene
CID 123838982
2-[(E)-docos-6-enyl]naphthalene
CID 101307769
2-[(E)-dodec-5-enyl]naphthalene
CID 101304407
2-[(E)-henicos-13-enyl]naphthalene
CID 101307743
2-pentylnaphthalene;prop-1-ene
CID 173098363
7-octylanthracen-2-amine
CID 87887056
2-(11-naphthalen-2-ylundecyl)naphthalene
CID 86035863
7,20-dipentylhexacyclo[12.12.0.02,11.04,9.015,24.017,22]hexacosa-1(14),2,4(9),5,7,10,12,15,17(22),18,20,23,25-tridecaene
CID 58411397

Frequently Asked Questions

What is the IUPAC name of 2-octylanthracene?
The IUPAC name of 2-octylanthracene (CID 23131226) is 2-octylanthracene.
What is the SMILES notation for 2-octylanthracene?
The canonical SMILES for 2-octylanthracene is CCCCCCCCc1ccc2cc3ccccc3cc2c1.
What is the InChIKey of 2-octylanthracene?
The InChIKey is KMWZUEHYCNUSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26/c1-2-3-4-5-6-7-10-18-13-14-21-16-19-11-8-9-12-20(19)17-22(21)15-18/h8-9,11-17H,2-7,10H2,1H3.
What are the key properties of 2-octylanthracene?
2-octylanthracene has a molecular weight of 290.45 g/mol, XLogP of 6.90, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octylanthracene is sourced from PubChem (CID 23131226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).