1-(1-butylcyclohexyl)oxynaphthalene

C20H26O — CID 66926599

IUPAC1-(1-butylcyclohexyl)oxynaphthalene
SMILESCCCCC1(Oc2cccc3ccccc23)CCCCC1
InChIInChI=1S/C20H26O/c1-2-3-14-20(15-7-4-8-16-20)21-19-13-9-11-17-10-5-6-12-18(17)19/h5-6,9-13H,2-4,7-8,14-16H2,1H3
InChIKeyPDXZIBUTKJBPNW-UHFFFAOYSA-N
MW282.43 g/mol
LogP6.11
Rot. Bonds5

About 1-(1-butylcyclohexyl)oxynaphthalene

1-(1-butylcyclohexyl)oxynaphthalene (PubChem CID 66926599) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(1-butylcyclohexyl)oxynaphthalene.

Molecular Properties

Compound Name1-(1-butylcyclohexyl)oxynaphthalene
PubChem CID66926599
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name1-(1-butylcyclohexyl)oxynaphthalene
SMILESCCCCC1(Oc2cccc3ccccc23)CCCCC1
InChIInChI=1S/C20H26O/c1-2-3-14-20(15-7-4-8-16-20)21-19-13-9-11-17-10-5-6-12-18(17)19/h5-6,9-13H,2-4,7-8,14-16H2,1H3
InChIKeyPDXZIBUTKJBPNW-UHFFFAOYSA-N
XLogP6.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-butylcyclohexyl)oxynaphthalene?
The IUPAC name of 1-(1-butylcyclohexyl)oxynaphthalene (CID 66926599) is 1-(1-butylcyclohexyl)oxynaphthalene.
What is the SMILES notation for 1-(1-butylcyclohexyl)oxynaphthalene?
The canonical SMILES for 1-(1-butylcyclohexyl)oxynaphthalene is CCCCC1(Oc2cccc3ccccc23)CCCCC1.
What is the InChIKey of 1-(1-butylcyclohexyl)oxynaphthalene?
The InChIKey is PDXZIBUTKJBPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O/c1-2-3-14-20(15-7-4-8-16-20)21-19-13-9-11-17-10-5-6-12-18(17)19/h5-6,9-13H,2-4,7-8,14-16H2,1H3.
What are the key properties of 1-(1-butylcyclohexyl)oxynaphthalene?
1-(1-butylcyclohexyl)oxynaphthalene has a molecular weight of 282.43 g/mol, XLogP of 6.11, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butylcyclohexyl)oxynaphthalene is sourced from PubChem (CID 66926599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).