5-butylacenaphthylene

C16H16 — CID 173460054

IUPAC5-butylacenaphthylene
SMILESCCCCc1ccc2c3c(cccc13)C=C2
InChIInChI=1S/C16H16/c1-2-3-5-12-8-9-14-11-10-13-6-4-7-15(12)16(13)14/h4,6-11H,2-3,5H2,1H3
InChIKeyBFDIORLVTLVSIG-UHFFFAOYSA-N
MW208.30 g/mol
LogP4.67
Rot. Bonds3

About 5-butylacenaphthylene

5-butylacenaphthylene (PubChem CID 173460054) has the molecular formula C16H16 and a molecular weight of 208.30 g/mol. Its IUPAC name is 5-butylacenaphthylene.

Molecular Properties

Compound Name5-butylacenaphthylene
PubChem CID173460054
Molecular FormulaC16H16
Molecular Weight208.30 g/mol
Exact Mass208.13
IUPAC Name5-butylacenaphthylene
SMILESCCCCc1ccc2c3c(cccc13)C=C2
InChIInChI=1S/C16H16/c1-2-3-5-12-8-9-14-11-10-13-6-4-7-15(12)16(13)14/h4,6-11H,2-3,5H2,1H3
InChIKeyBFDIORLVTLVSIG-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-butylacenaphthylene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-acenaphthylen-5-ylethanol
CID 154533898
4-ethyl-1,5-dipentylnaphthalene
CID 90697444
1-butylnaphthalene;ethane
CID 142087052
calcium bis(5,8-dibutylnaphthalene-1-sulfonate)
CID 101324509
4-butyl-8-tert-butylnaphthalen-1-ol
CID 23313268
azane;1-butylnaphthalene;methane
CID 174691035
2-butyl-1-(2-butylnaphthalen-1-yl)naphthalene
CID 59129933
1-heptyl-4-[3-(4-heptylnaphthalen-1-yl)propyl]naphthalene
CID 157140020
1-hexadecylpyrene
CID 12966317
5,8-dipentylnaphthalene-1-sulfonic acid
CID 101322538
1-hexyl-4-propylnaphthalene
CID 173269452
4,9-dihexylpicene
CID 58426524

Frequently Asked Questions

What is the IUPAC name of 5-butylacenaphthylene?
The IUPAC name of 5-butylacenaphthylene (CID 173460054) is 5-butylacenaphthylene.
What is the SMILES notation for 5-butylacenaphthylene?
The canonical SMILES for 5-butylacenaphthylene is CCCCc1ccc2c3c(cccc13)C=C2.
What is the InChIKey of 5-butylacenaphthylene?
The InChIKey is BFDIORLVTLVSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16/c1-2-3-5-12-8-9-14-11-10-13-6-4-7-15(12)16(13)14/h4,6-11H,2-3,5H2,1H3.
What are the key properties of 5-butylacenaphthylene?
5-butylacenaphthylene has a molecular weight of 208.30 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylacenaphthylene is sourced from PubChem (CID 173460054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).