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

C32H54O2 — CID 19739250

IUPAC1-[3-(4-heptylcyclohexyl)propoxy]-4-[(4-propylcyclohexyl)methoxy]benzene
SMILESCCCCCCCC1CCC(CCCOc2ccc(OCC3CCC(CCC)CC3)cc2)CC1
InChIInChI=1S/C32H54O2/c1-3-5-6-7-8-11-28-13-15-29(16-14-28)12-9-25-33-31-21-23-32(24-22-31)34-26-30-19-17-27(10-4-2)18-20-30/h21-24,27-30H,3-20,25-26H2,1-2H3
InChIKeyFMAXFHJAWXCZFY-UHFFFAOYSA-N
MW470.78 g/mol
LogP10.00
Rot. Bonds16

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

1-[3-(4-heptylcyclohexyl)propoxy]-4-[(4-propylcyclohexyl)methoxy]benzene (PubChem CID 19739250) has the molecular formula C32H54O2 and a molecular weight of 470.78 g/mol. Its IUPAC name is 1-[3-(4-heptylcyclohexyl)propoxy]-4-[(4-propylcyclohexyl)methoxy]benzene.

Molecular Properties

Compound Name1-[3-(4-heptylcyclohexyl)propoxy]-4-[(4-propylcyclohexyl)methoxy]benzene
PubChem CID19739250
Molecular FormulaC32H54O2
Molecular Weight470.78 g/mol
Exact Mass470.41
IUPAC Name1-[3-(4-heptylcyclohexyl)propoxy]-4-[(4-propylcyclohexyl)methoxy]benzene
SMILESCCCCCCCC1CCC(CCCOc2ccc(OCC3CCC(CCC)CC3)cc2)CC1
InChIInChI=1S/C32H54O2/c1-3-5-6-7-8-11-28-13-15-29(16-14-28)12-9-25-33-31-21-23-32(24-22-31)34-26-30-19-17-27(10-4-2)18-20-30/h21-24,27-30H,3-20,25-26H2,1-2H3
InChIKeyFMAXFHJAWXCZFY-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'}

Analyze 1-[3-(4-heptylcyclohexyl)propoxy]-4-[(4-propylcyclohexyl)methoxy]benzene with MolForge

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Related Compounds

1-[3-(4-ethylcyclohexyl)propoxy]-4-[(4-hexylcyclohexyl)methoxy]benzene
CID 19738873
1-butoxy-4-[3-(4-heptylcyclohexyl)propoxy]benzene
CID 19738947
1-[3-(2-heptylcyclohexyl)propoxy]-4-[(4-propylcyclohexyl)methoxy]benzene
CID 57242235
1-octoxy-4-[3-(4-pentylcyclohexyl)propoxy]benzene
CID 54461890
1-butoxy-4-[3-(4-propylcyclohexyl)propoxy]benzene
CID 19739002
1-[3-(4-nonylcyclohexyl)propoxy]-4-[4-[3-(4-nonylcyclohexyl)propoxy]phenyl]benzene
CID 19738837
1-[3-(2-butylcyclohexyl)propoxy]-4-[(4-pentylcyclohexyl)methoxy]benzene
CID 57055997
(4-hexylcyclohexyl)methoxybenzene
CID 57019623
1-octyl-4-[3-(4-pentylcyclohexyl)propoxy]benzene
CID 19739264
1-heptyl-4-[3-(4-hexylcyclohexyl)propoxy]benzene
CID 57294543
1-(4-hexylcyclohexyl)-4-[3-(4-hexylcyclohexyl)propoxy]benzene
CID 19738763
1-ethyl-4-[3-(4-pentylcyclohexyl)propoxy]benzene
CID 19739084

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-heptylcyclohexyl)propoxy]-4-[(4-propylcyclohexyl)methoxy]benzene?
The IUPAC name of 1-[3-(4-heptylcyclohexyl)propoxy]-4-[(4-propylcyclohexyl)methoxy]benzene (CID 19739250) is 1-[3-(4-heptylcyclohexyl)propoxy]-4-[(4-propylcyclohexyl)methoxy]benzene.
What is the SMILES notation for 1-[3-(4-heptylcyclohexyl)propoxy]-4-[(4-propylcyclohexyl)methoxy]benzene?
The canonical SMILES for 1-[3-(4-heptylcyclohexyl)propoxy]-4-[(4-propylcyclohexyl)methoxy]benzene is CCCCCCCC1CCC(CCCOc2ccc(OCC3CCC(CCC)CC3)cc2)CC1.
What is the InChIKey of 1-[3-(4-heptylcyclohexyl)propoxy]-4-[(4-propylcyclohexyl)methoxy]benzene?
The InChIKey is FMAXFHJAWXCZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H54O2/c1-3-5-6-7-8-11-28-13-15-29(16-14-28)12-9-25-33-31-21-23-32(24-22-31)34-26-30-19-17-27(10-4-2)18-20-30/h21-24,27-30H,3-20,25-26H2,1-2H3.
What are the key properties of 1-[3-(4-heptylcyclohexyl)propoxy]-4-[(4-propylcyclohexyl)methoxy]benzene?
1-[3-(4-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-(4-heptylcyclohexyl)propoxy]-4-[(4-propylcyclohexyl)methoxy]benzene is sourced from PubChem (CID 19739250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).