4-ethyl-1,5-dipentylnaphthalene

C22H32 — CID 90697444

IUPAC4-ethyl-1,5-dipentylnaphthalene
SMILESCCCCCc1ccc(CC)c2c(CCCCC)cccc12
InChIInChI=1S/C22H32/c1-4-7-9-12-19-17-16-18(6-3)22-20(13-10-8-5-2)14-11-15-21(19)22/h11,14-17H,4-10,12-13H2,1-3H3
InChIKeyCSVDVRHVDFDCNF-UHFFFAOYSA-N
MW296.50 g/mol
LogP6.87
Rot. Bonds9

About 4-ethyl-1,5-dipentylnaphthalene

4-ethyl-1,5-dipentylnaphthalene (PubChem CID 90697444) has the molecular formula C22H32 and a molecular weight of 296.50 g/mol. Its IUPAC name is 4-ethyl-1,5-dipentylnaphthalene.

Molecular Properties

Compound Name4-ethyl-1,5-dipentylnaphthalene
PubChem CID90697444
Molecular FormulaC22H32
Molecular Weight296.50 g/mol
Exact Mass296.25
IUPAC Name4-ethyl-1,5-dipentylnaphthalene
SMILESCCCCCc1ccc(CC)c2c(CCCCC)cccc12
InChIInChI=1S/C22H32/c1-4-7-9-12-19-17-16-18(6-3)22-20(13-10-8-5-2)14-11-15-21(19)22/h11,14-17H,4-10,12-13H2,1-3H3
InChIKeyCSVDVRHVDFDCNF-UHFFFAOYSA-N
XLogP6.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4,8-dipentylnaphthalene-1-sulfonic acid
CID 101322532
1-bromo-4,5-dioctylnaphthalene
CID 174490100
5,8-dipentylnaphthalene-1-sulfonic acid
CID 101322538
sodium 4,8-dihexylnaphthalene-1-sulfonate
CID 23677798
calcium bis(5,8-dipentylnaphthalene-1-sulfonate)
CID 101324530
4,9-dihexylpicene
CID 58426524
4,9-didodecylpicene
CID 58426566
4,5-di(tetradecyl)naphthalene-1-sulfonic acid
CID 101319199
calcium bis(5,8-di(tetradecyl)naphthalene-1-sulfonate)
CID 101324713
1-tetradecylnaphthalene
CID 14402128
potassium 4,5-di(tridecyl)naphthalene-1-sulfonate
CID 101322703
potassium 4,5-di(tetradecyl)naphthalene-1-sulfonate
CID 101322724

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,5-dipentylnaphthalene?
The IUPAC name of 4-ethyl-1,5-dipentylnaphthalene (CID 90697444) is 4-ethyl-1,5-dipentylnaphthalene.
What is the SMILES notation for 4-ethyl-1,5-dipentylnaphthalene?
The canonical SMILES for 4-ethyl-1,5-dipentylnaphthalene is CCCCCc1ccc(CC)c2c(CCCCC)cccc12.
What is the InChIKey of 4-ethyl-1,5-dipentylnaphthalene?
The InChIKey is CSVDVRHVDFDCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32/c1-4-7-9-12-19-17-16-18(6-3)22-20(13-10-8-5-2)14-11-15-21(19)22/h11,14-17H,4-10,12-13H2,1-3H3.
What are the key properties of 4-ethyl-1,5-dipentylnaphthalene?
4-ethyl-1,5-dipentylnaphthalene has a molecular weight of 296.50 g/mol, XLogP of 6.87, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,5-dipentylnaphthalene is sourced from PubChem (CID 90697444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).