2-octylazulene

C18H24 — CID 101406191

IUPAC2-octylazulene
SMILESCCCCCCCCc1cc2cccccc-2c1
InChIInChI=1S/C18H24/c1-2-3-4-5-6-8-11-16-14-17-12-9-7-10-13-18(17)15-16/h7,9-10,12-15H,2-6,8,11H2,1H3
InChIKeyHOGXZSUPVNIGBN-UHFFFAOYSA-N
MW240.39 g/mol
LogP5.69
Rot. Bonds7

About 2-octylazulene

2-octylazulene (PubChem CID 101406191) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-octylazulene.

Molecular Properties

Compound Name2-octylazulene
PubChem CID101406191
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name2-octylazulene
SMILESCCCCCCCCc1cc2cccccc-2c1
InChIInChI=1S/C18H24/c1-2-3-4-5-6-8-11-16-14-17-12-9-7-10-13-18(17)15-16/h7,9-10,12-15H,2-6,8,11H2,1H3
InChIKeyHOGXZSUPVNIGBN-UHFFFAOYSA-N
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.39
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-pentadecyl-4-phenylbenzene
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octylbenzene
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octacosylbenzene
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pentadecane;pentadecylbenzene
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octaoctacontylbenzene
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pentanonacontylbenzene
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1,3-didecyl-5-(3,5-didecylphenyl)benzene
CID 150677432
6,20,34-triphenyl-11,25,39-tri(tetradecyl)tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaene
CID 132609479
dodecylbenzene;sulfane
CID 20560423
hexylbenzene;hydrogen peroxide
CID 90001206
CID 67791041
CID 67791041
azane;tetradecylbenzene
CID 70503489

Frequently Asked Questions

What is the IUPAC name of 2-octylazulene?
The IUPAC name of 2-octylazulene (CID 101406191) is 2-octylazulene.
What is the SMILES notation for 2-octylazulene?
The canonical SMILES for 2-octylazulene is CCCCCCCCc1cc2cccccc-2c1.
What is the InChIKey of 2-octylazulene?
The InChIKey is HOGXZSUPVNIGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24/c1-2-3-4-5-6-8-11-16-14-17-12-9-7-10-13-18(17)15-16/h7,9-10,12-15H,2-6,8,11H2,1H3.
What are the key properties of 2-octylazulene?
2-octylazulene has a molecular weight of 240.39 g/mol, XLogP of 5.69, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octylazulene is sourced from PubChem (CID 101406191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).