acenaphthylene;benzene

C18H14 — CID 161131509

IUPACacenaphthylene;benzene
SMILESC1=Cc2cccc3cccc1c23.c1ccccc1
InChIInChI=1S/C12H8.C6H6/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11;1-2-4-6-5-3-1/h1-8H;1-6H
InChIKeyUMGDWXZJPMLYAI-UHFFFAOYSA-N
MW230.31 g/mol
LogP5.01
Rot. Bonds

About acenaphthylene;benzene

acenaphthylene;benzene (PubChem CID 161131509) has the molecular formula C18H14 and a molecular weight of 230.31 g/mol. Its IUPAC name is acenaphthylene;benzene.

Molecular Properties

Compound Nameacenaphthylene;benzene
PubChem CID161131509
Molecular FormulaC18H14
Molecular Weight230.31 g/mol
Exact Mass230.11
IUPAC Nameacenaphthylene;benzene
SMILESC1=Cc2cccc3cccc1c23.c1ccccc1
InChIInChI=1S/C12H8.C6H6/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11;1-2-4-6-5-3-1/h1-8H;1-6H
InChIKeyUMGDWXZJPMLYAI-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.31
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of acenaphthylene;benzene?
The IUPAC name of acenaphthylene;benzene (CID 161131509) is acenaphthylene;benzene.
What is the SMILES notation for acenaphthylene;benzene?
The canonical SMILES for acenaphthylene;benzene is C1=Cc2cccc3cccc1c23.c1ccccc1.
What is the InChIKey of acenaphthylene;benzene?
The InChIKey is UMGDWXZJPMLYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8.C6H6/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11;1-2-4-6-5-3-1/h1-8H;1-6H.
What are the key properties of acenaphthylene;benzene?
acenaphthylene;benzene has a molecular weight of 230.31 g/mol, XLogP of 5.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acenaphthylene;benzene is sourced from PubChem (CID 161131509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).