2-heptoxy-6-(4-propylcyclohexyl)naphthalene

C26H38O — CID 20500463

IUPAC2-heptoxy-6-(4-propylcyclohexyl)naphthalene
SMILESCCCCCCCOc1ccc2cc(C3CCC(CCC)CC3)ccc2c1
InChIInChI=1S/C26H38O/c1-3-5-6-7-8-18-27-26-17-16-24-19-23(14-15-25(24)20-26)22-12-10-21(9-4-2)11-13-22/h14-17,19-22H,3-13,18H2,1-2H3
InChIKeyQOHYWKZIENQAAT-UHFFFAOYSA-N
MW366.59 g/mol
LogP8.26
Rot. Bonds10

About 2-heptoxy-6-(4-propylcyclohexyl)naphthalene

2-heptoxy-6-(4-propylcyclohexyl)naphthalene (PubChem CID 20500463) has the molecular formula C26H38O and a molecular weight of 366.59 g/mol. Its IUPAC name is 2-heptoxy-6-(4-propylcyclohexyl)naphthalene.

Molecular Properties

Compound Name2-heptoxy-6-(4-propylcyclohexyl)naphthalene
PubChem CID20500463
Molecular FormulaC26H38O
Molecular Weight366.59 g/mol
Exact Mass366.29
IUPAC Name2-heptoxy-6-(4-propylcyclohexyl)naphthalene
SMILESCCCCCCCOc1ccc2cc(C3CCC(CCC)CC3)ccc2c1
InChIInChI=1S/C26H38O/c1-3-5-6-7-8-18-27-26-17-16-24-19-23(14-15-25(24)20-26)22-12-10-21(9-4-2)11-13-22/h14-17,19-22H,3-13,18H2,1-2H3
InChIKeyQOHYWKZIENQAAT-UHFFFAOYSA-N
XLogP8.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.59
LogP ≤ 58.26
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-(4-pentylcyclohexyl)-6-propoxynaphthalene
CID 20500089
1-dodecoxy-4-(4-pentylcyclohexyl)benzene
CID 59711339
1,4-bis[10-[4-(4-pentylcyclohexyl)phenoxy]decoxy]benzene
CID 102012139
1-(4-pentylcyclohexyl)-4-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecoxy]benzene
CID 59583298
1-(6-phenoxyhexoxy)-4-(4-propylcyclohexyl)benzene
CID 102047471
1-(4-hexylcyclohexyl)-4-[3-(4-hexylcyclohexyl)propoxy]benzene
CID 19738763
1-(4-heptylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539032
1-octoxy-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20538876
1-(4-nonylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539126
6-[4-(4-propylcyclohexyl)phenoxy]hexan-1-ol
CID 67066834
1-(4-hexylcyclohexyl)-4-(4-octoxyphenyl)benzene
CID 20539136
1-dodecoxy-2-fluoro-4-(4-propylcyclohexyl)benzene
CID 57028175

Frequently Asked Questions

What is the IUPAC name of 2-heptoxy-6-(4-propylcyclohexyl)naphthalene?
The IUPAC name of 2-heptoxy-6-(4-propylcyclohexyl)naphthalene (CID 20500463) is 2-heptoxy-6-(4-propylcyclohexyl)naphthalene.
What is the SMILES notation for 2-heptoxy-6-(4-propylcyclohexyl)naphthalene?
The canonical SMILES for 2-heptoxy-6-(4-propylcyclohexyl)naphthalene is CCCCCCCOc1ccc2cc(C3CCC(CCC)CC3)ccc2c1.
What is the InChIKey of 2-heptoxy-6-(4-propylcyclohexyl)naphthalene?
The InChIKey is QOHYWKZIENQAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O/c1-3-5-6-7-8-18-27-26-17-16-24-19-23(14-15-25(24)20-26)22-12-10-21(9-4-2)11-13-22/h14-17,19-22H,3-13,18H2,1-2H3.
What are the key properties of 2-heptoxy-6-(4-propylcyclohexyl)naphthalene?
2-heptoxy-6-(4-propylcyclohexyl)naphthalene has a molecular weight of 366.59 g/mol, XLogP of 8.26, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptoxy-6-(4-propylcyclohexyl)naphthalene is sourced from PubChem (CID 20500463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).