1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexane

C25H46O — CID 22886327

IUPAC1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexane
SMILESCCCC1CCC(OCC2CCC(C3CCC(CCC)CC3)CC2)CC1
InChIInChI=1S/C25H46O/c1-3-5-20-7-13-23(14-8-20)24-15-9-22(10-16-24)19-26-25-17-11-21(6-4-2)12-18-25/h20-25H,3-19H2,1-2H3
InChIKeyADSRPRBWAAZCRX-UHFFFAOYSA-N
MW362.64 g/mol
LogP7.77
Rot. Bonds8

About 1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexane

1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexane (PubChem CID 22886327) has the molecular formula C25H46O and a molecular weight of 362.64 g/mol. Its IUPAC name is 1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexane.

Molecular Properties

Compound Name1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexane
PubChem CID22886327
Molecular FormulaC25H46O
Molecular Weight362.64 g/mol
Exact Mass362.35
IUPAC Name1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexane
SMILESCCCC1CCC(OCC2CCC(C3CCC(CCC)CC3)CC2)CC1
InChIInChI=1S/C25H46O/c1-3-5-20-7-13-23(14-8-20)24-15-9-22(10-16-24)19-26-25-17-11-21(6-4-2)12-18-25/h20-25H,3-19H2,1-2H3
InChIKeyADSRPRBWAAZCRX-UHFFFAOYSA-N
XLogP7.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.64
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexane?
The IUPAC name of 1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexane (CID 22886327) is 1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexane.
What is the SMILES notation for 1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexane?
The canonical SMILES for 1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexane is CCCC1CCC(OCC2CCC(C3CCC(CCC)CC3)CC2)CC1.
What is the InChIKey of 1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexane?
The InChIKey is ADSRPRBWAAZCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46O/c1-3-5-20-7-13-23(14-8-20)24-15-9-22(10-16-24)19-26-25-17-11-21(6-4-2)12-18-25/h20-25H,3-19H2,1-2H3.
What are the key properties of 1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexane?
1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexane has a molecular weight of 362.64 g/mol, XLogP of 7.77, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexane is sourced from PubChem (CID 22886327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).