acenaphthylene;ethane

C18H26 — CID 54237459

IUPACacenaphthylene;ethane
SMILESC1=Cc2cccc3cccc1c23.CC.CC.CC
InChIInChI=1S/C12H8.3C2H6/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11;3*1-2/h1-8H;3*1-2H3
InChIKeyQNOVBQQROQCODR-UHFFFAOYSA-N
MW242.41 g/mol
LogP6.40
Rot. Bonds

About acenaphthylene;ethane

acenaphthylene;ethane (PubChem CID 54237459) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is acenaphthylene;ethane.

Molecular Properties

Compound Nameacenaphthylene;ethane
PubChem CID54237459
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Nameacenaphthylene;ethane
SMILESC1=Cc2cccc3cccc1c23.CC.CC.CC
InChIInChI=1S/C12H8.3C2H6/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11;3*1-2/h1-8H;3*1-2H3
InChIKeyQNOVBQQROQCODR-UHFFFAOYSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of acenaphthylene;ethane?
The IUPAC name of acenaphthylene;ethane (CID 54237459) is acenaphthylene;ethane.
What is the SMILES notation for acenaphthylene;ethane?
The canonical SMILES for acenaphthylene;ethane is C1=Cc2cccc3cccc1c23.CC.CC.CC.
What is the InChIKey of acenaphthylene;ethane?
The InChIKey is QNOVBQQROQCODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8.3C2H6/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11;3*1-2/h1-8H;3*1-2H3.
What are the key properties of acenaphthylene;ethane?
acenaphthylene;ethane has a molecular weight of 242.41 g/mol, XLogP of 6.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acenaphthylene;ethane is sourced from PubChem (CID 54237459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).