1-[3-(2-heptylcyclohexyl)propoxy]-4-[(4-propylcyclohexyl)methoxy]benzene

C32H54O2 — CID 57242235

IUPAC1-[3-(2-heptylcyclohexyl)propoxy]-4-[(4-propylcyclohexyl)methoxy]benzene
SMILESCCCCCCCC1CCCCC1CCCOc1ccc(OCC2CCC(CCC)CC2)cc1
InChIInChI=1S/C32H54O2/c1-3-5-6-7-8-13-29-14-9-10-15-30(29)16-11-25-33-31-21-23-32(24-22-31)34-26-28-19-17-27(12-4-2)18-20-28/h21-24,27-30H,3-20,25-26H2,1-2H3
InChIKeyVEWUSLAIEIDALY-UHFFFAOYSA-N
MW470.78 g/mol
LogP10.00
Rot. Bonds16

About 1-[3-(2-heptylcyclohexyl)propoxy]-4-[(4-propylcyclohexyl)methoxy]benzene

1-[3-(2-heptylcyclohexyl)propoxy]-4-[(4-propylcyclohexyl)methoxy]benzene (PubChem CID 57242235) has the molecular formula C32H54O2 and a molecular weight of 470.78 g/mol. Its IUPAC name is 1-[3-(2-heptylcyclohexyl)propoxy]-4-[(4-propylcyclohexyl)methoxy]benzene.

Molecular Properties

Compound Name1-[3-(2-heptylcyclohexyl)propoxy]-4-[(4-propylcyclohexyl)methoxy]benzene
PubChem CID57242235
Molecular FormulaC32H54O2
Molecular Weight470.78 g/mol
Exact Mass470.41
IUPAC Name1-[3-(2-heptylcyclohexyl)propoxy]-4-[(4-propylcyclohexyl)methoxy]benzene
SMILESCCCCCCCC1CCCCC1CCCOc1ccc(OCC2CCC(CCC)CC2)cc1
InChIInChI=1S/C32H54O2/c1-3-5-6-7-8-13-29-14-9-10-15-30(29)16-11-25-33-31-21-23-32(24-22-31)34-26-28-19-17-27(12-4-2)18-20-28/h21-24,27-30H,3-20,25-26H2,1-2H3
InChIKeyVEWUSLAIEIDALY-UHFFFAOYSA-N
XLogP10.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.78
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-butylcyclohexyl)propoxy]-4-[(4-pentylcyclohexyl)methoxy]benzene
CID 57055997
1-[3-(4-heptylcyclohexyl)propoxy]-4-[(4-propylcyclohexyl)methoxy]benzene
CID 19739250
1-[3-(4-ethylcyclohexyl)propoxy]-4-[(4-hexylcyclohexyl)methoxy]benzene
CID 19738873
1-[3-(2-pentylcyclohexyl)propoxy]-4-propoxybenzene
CID 57258842
1-[3-(2-pentylcyclohexyl)propoxy]-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]benzene
CID 57027738
1-butoxy-4-[3-(4-heptylcyclohexyl)propoxy]benzene
CID 19738947
1-octoxy-4-[3-(4-pentylcyclohexyl)propoxy]benzene
CID 54461890
1-butoxy-4-[3-(4-propylcyclohexyl)propoxy]benzene
CID 19739002
1-fluoro-4-[3-(2-pentylcyclohexyl)propoxy]benzene
CID 56982189
1-(cyclohexylmethoxy)-4-pentoxybenzene
CID 90350366
(4-heptylcyclohexyl) 4-[3-(2-pentylcyclohexyl)propoxy]benzoate
CID 56987562
(4-pentylcyclohexyl) 4-[3-(2-pentylcyclohexyl)propoxy]benzoate
CID 57223862

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-heptylcyclohexyl)propoxy]-4-[(4-propylcyclohexyl)methoxy]benzene?
The IUPAC name of 1-[3-(2-heptylcyclohexyl)propoxy]-4-[(4-propylcyclohexyl)methoxy]benzene (CID 57242235) is 1-[3-(2-heptylcyclohexyl)propoxy]-4-[(4-propylcyclohexyl)methoxy]benzene.
What is the SMILES notation for 1-[3-(2-heptylcyclohexyl)propoxy]-4-[(4-propylcyclohexyl)methoxy]benzene?
The canonical SMILES for 1-[3-(2-heptylcyclohexyl)propoxy]-4-[(4-propylcyclohexyl)methoxy]benzene is CCCCCCCC1CCCCC1CCCOc1ccc(OCC2CCC(CCC)CC2)cc1.
What is the InChIKey of 1-[3-(2-heptylcyclohexyl)propoxy]-4-[(4-propylcyclohexyl)methoxy]benzene?
The InChIKey is VEWUSLAIEIDALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H54O2/c1-3-5-6-7-8-13-29-14-9-10-15-30(29)16-11-25-33-31-21-23-32(24-22-31)34-26-28-19-17-27(12-4-2)18-20-28/h21-24,27-30H,3-20,25-26H2,1-2H3.
What are the key properties of 1-[3-(2-heptylcyclohexyl)propoxy]-4-[(4-propylcyclohexyl)methoxy]benzene?
1-[3-(2-heptylcyclohexyl)propoxy]-4-[(4-propylcyclohexyl)methoxy]benzene has a molecular weight of 470.78 g/mol, XLogP of 10.00, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-heptylcyclohexyl)propoxy]-4-[(4-propylcyclohexyl)methoxy]benzene is sourced from PubChem (CID 57242235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).