1-cyclopentyl-4-propylnaphthalene

C18H22 — CID 173269016

IUPAC1-cyclopentyl-4-propylnaphthalene
SMILESCCCc1ccc(C2CCCC2)c2ccccc12
InChIInChI=1S/C18H22/c1-2-7-14-12-13-17(15-8-3-4-9-15)18-11-6-5-10-16(14)18/h5-6,10-13,15H,2-4,7-9H2,1H3
InChIKeyMYAAZHGXKQTUGD-UHFFFAOYSA-N
MW238.37 g/mol
LogP5.45
Rot. Bonds3

About 1-cyclopentyl-4-propylnaphthalene

1-cyclopentyl-4-propylnaphthalene (PubChem CID 173269016) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-cyclopentyl-4-propylnaphthalene.

Molecular Properties

Compound Name1-cyclopentyl-4-propylnaphthalene
PubChem CID173269016
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name1-cyclopentyl-4-propylnaphthalene
SMILESCCCc1ccc(C2CCCC2)c2ccccc12
InChIInChI=1S/C18H22/c1-2-7-14-12-13-17(15-8-3-4-9-15)18-11-6-5-10-16(14)18/h5-6,10-13,15H,2-4,7-9H2,1H3
InChIKeyMYAAZHGXKQTUGD-UHFFFAOYSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.37
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-propylnaphthalene?
The IUPAC name of 1-cyclopentyl-4-propylnaphthalene (CID 173269016) is 1-cyclopentyl-4-propylnaphthalene.
What is the SMILES notation for 1-cyclopentyl-4-propylnaphthalene?
The canonical SMILES for 1-cyclopentyl-4-propylnaphthalene is CCCc1ccc(C2CCCC2)c2ccccc12.
What is the InChIKey of 1-cyclopentyl-4-propylnaphthalene?
The InChIKey is MYAAZHGXKQTUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22/c1-2-7-14-12-13-17(15-8-3-4-9-15)18-11-6-5-10-16(14)18/h5-6,10-13,15H,2-4,7-9H2,1H3.
What are the key properties of 1-cyclopentyl-4-propylnaphthalene?
1-cyclopentyl-4-propylnaphthalene has a molecular weight of 238.37 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-propylnaphthalene is sourced from PubChem (CID 173269016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).