2-(4-pentylcyclohexyl)-6-propoxynaphthalene

C24H34O — CID 20500089

IUPAC2-(4-pentylcyclohexyl)-6-propoxynaphthalene
SMILESCCCCCC1CCC(c2ccc3cc(OCCC)ccc3c2)CC1
InChIInChI=1S/C24H34O/c1-3-5-6-7-19-8-10-20(11-9-19)21-12-13-23-18-24(25-16-4-2)15-14-22(23)17-21/h12-15,17-20H,3-11,16H2,1-2H3
InChIKeyFZHFGDJTJISNQS-UHFFFAOYSA-N
MW338.54 g/mol
LogP7.48
Rot. Bonds8

About 2-(4-pentylcyclohexyl)-6-propoxynaphthalene

2-(4-pentylcyclohexyl)-6-propoxynaphthalene (PubChem CID 20500089) has the molecular formula C24H34O and a molecular weight of 338.54 g/mol. Its IUPAC name is 2-(4-pentylcyclohexyl)-6-propoxynaphthalene.

Molecular Properties

Compound Name2-(4-pentylcyclohexyl)-6-propoxynaphthalene
PubChem CID20500089
Molecular FormulaC24H34O
Molecular Weight338.54 g/mol
Exact Mass338.26
IUPAC Name2-(4-pentylcyclohexyl)-6-propoxynaphthalene
SMILESCCCCCC1CCC(c2ccc3cc(OCCC)ccc3c2)CC1
InChIInChI=1S/C24H34O/c1-3-5-6-7-19-8-10-20(11-9-19)21-12-13-23-18-24(25-16-4-2)15-14-22(23)17-21/h12-15,17-20H,3-11,16H2,1-2H3
InChIKeyFZHFGDJTJISNQS-UHFFFAOYSA-N
XLogP7.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.54
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-heptoxy-6-(4-propylcyclohexyl)naphthalene
CID 20500463
1-(4-pentylcyclohexyl)-4-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecoxy]benzene
CID 59583298
1,4-bis[10-[4-(4-pentylcyclohexyl)phenoxy]decoxy]benzene
CID 102012139
1-dodecoxy-4-(4-pentylcyclohexyl)benzene
CID 59711339
1-(4-hexylcyclohexyl)-4-[3-(4-hexylcyclohexyl)propoxy]benzene
CID 19738763
2-bromo-6-(4-pentylcyclohexyl)naphthalene
CID 20500242
6-(4-pentylcyclohexyl)naphthalen-2-ol
CID 139850093
1-(4-nonylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539126
1-(4-heptylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539032
1-octoxy-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20538876
1-(4-hexylcyclohexyl)-4-(4-octoxyphenyl)benzene
CID 20539136
[6-(4-heptylcyclohexyl)naphthalen-2-yl] pentanoate
CID 20500391

Frequently Asked Questions

What is the IUPAC name of 2-(4-pentylcyclohexyl)-6-propoxynaphthalene?
The IUPAC name of 2-(4-pentylcyclohexyl)-6-propoxynaphthalene (CID 20500089) is 2-(4-pentylcyclohexyl)-6-propoxynaphthalene.
What is the SMILES notation for 2-(4-pentylcyclohexyl)-6-propoxynaphthalene?
The canonical SMILES for 2-(4-pentylcyclohexyl)-6-propoxynaphthalene is CCCCCC1CCC(c2ccc3cc(OCCC)ccc3c2)CC1.
What is the InChIKey of 2-(4-pentylcyclohexyl)-6-propoxynaphthalene?
The InChIKey is FZHFGDJTJISNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O/c1-3-5-6-7-19-8-10-20(11-9-19)21-12-13-23-18-24(25-16-4-2)15-14-22(23)17-21/h12-15,17-20H,3-11,16H2,1-2H3.
What are the key properties of 2-(4-pentylcyclohexyl)-6-propoxynaphthalene?
2-(4-pentylcyclohexyl)-6-propoxynaphthalene has a molecular weight of 338.54 g/mol, XLogP of 7.48, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pentylcyclohexyl)-6-propoxynaphthalene is sourced from PubChem (CID 20500089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).