1-ethenyl-2-octan-4-ylbenzene

C16H24 — CID 143490700

IUPAC1-ethenyl-2-octan-4-ylbenzene
SMILESC=Cc1ccccc1C(CCC)CCCC
InChIInChI=1S/C16H24/c1-4-7-11-15(10-5-2)16-13-9-8-12-14(16)6-3/h6,8-9,12-13,15H,3-5,7,10-11H2,1-2H3
InChIKeyLBZSOIURKUAQKA-UHFFFAOYSA-N
MW216.37 g/mol
LogP5.40
Rot. Bonds7

About 1-ethenyl-2-octan-4-ylbenzene

1-ethenyl-2-octan-4-ylbenzene (PubChem CID 143490700) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-ethenyl-2-octan-4-ylbenzene.

Molecular Properties

Compound Name1-ethenyl-2-octan-4-ylbenzene
PubChem CID143490700
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name1-ethenyl-2-octan-4-ylbenzene
SMILESC=Cc1ccccc1C(CCC)CCCC
InChIInChI=1S/C16H24/c1-4-7-11-15(10-5-2)16-13-9-8-12-14(16)6-3/h6,8-9,12-13,15H,3-5,7,10-11H2,1-2H3
InChIKeyLBZSOIURKUAQKA-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.37
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-octan-4-ylbenzene?
The IUPAC name of 1-ethenyl-2-octan-4-ylbenzene (CID 143490700) is 1-ethenyl-2-octan-4-ylbenzene.
What is the SMILES notation for 1-ethenyl-2-octan-4-ylbenzene?
The canonical SMILES for 1-ethenyl-2-octan-4-ylbenzene is C=Cc1ccccc1C(CCC)CCCC.
What is the InChIKey of 1-ethenyl-2-octan-4-ylbenzene?
The InChIKey is LBZSOIURKUAQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-4-7-11-15(10-5-2)16-13-9-8-12-14(16)6-3/h6,8-9,12-13,15H,3-5,7,10-11H2,1-2H3.
What are the key properties of 1-ethenyl-2-octan-4-ylbenzene?
1-ethenyl-2-octan-4-ylbenzene has a molecular weight of 216.37 g/mol, XLogP of 5.40, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-octan-4-ylbenzene is sourced from PubChem (CID 143490700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).