acenaphthylene

C12H8 — CID 9161

IUPACacenaphthylene
SMILESC1=Cc2cccc3cccc1c23
InChIInChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H
InChIKeyHXGDTGSAIMULJN-UHFFFAOYSA-N
MW152.20 g/mol
LogP3.32
Rot. Bonds

About acenaphthylene

acenaphthylene (PubChem CID 9161) has the molecular formula C12H8 and a molecular weight of 152.20 g/mol. Its IUPAC name is acenaphthylene.

Molecular Properties

Compound Nameacenaphthylene
PubChem CID9161
Molecular FormulaC12H8
Molecular Weight152.20 g/mol
Exact Mass152.06
IUPAC Nameacenaphthylene
SMILESC1=Cc2cccc3cccc1c23
InChIInChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H
InChIKeyHXGDTGSAIMULJN-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Naphthalene
CID 931
Biphenyl
CID 7095
Fluorene
CID 6853
Anthracene
CID 8418
Phenanthrene
CID 995
Pyrene
CID 31423
1-Methylnaphthalene
CID 7002
Tetralin
CID 8404
Indene
CID 7219
BENZ(a)ANTHRACENE
CID 5954
Benzo(B)Fluoranthene
CID 9153
Fluoranthene
CID 9154

Frequently Asked Questions

What is the IUPAC name of acenaphthylene?
The IUPAC name of acenaphthylene (CID 9161) is acenaphthylene.
What is the SMILES notation for acenaphthylene?
The canonical SMILES for acenaphthylene is C1=Cc2cccc3cccc1c23.
What is the InChIKey of acenaphthylene?
The InChIKey is HXGDTGSAIMULJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H.
What are the key properties of acenaphthylene?
acenaphthylene has a molecular weight of 152.20 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acenaphthylene is sourced from PubChem (CID 9161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).