1-pentyl-4-[(1R,3R)-3-propoxycyclohexyl]cyclohexane

C20H38O — CID 18640354

IUPAC1-pentyl-4-[(1R,3R)-3-propoxycyclohexyl]cyclohexane
SMILESCCCCCC1CCC([C@@H]2CCC[C@@H](OCCC)C2)CC1
InChIInChI=1S/C20H38O/c1-3-5-6-8-17-11-13-18(14-12-17)19-9-7-10-20(16-19)21-15-4-2/h17-20H,3-16H2,1-2H3/t17?,18?,19-,20-/m1/s1
InChIKeyJZKQYUOJBCZZBC-NTFDOXNWSA-N
MW294.52 g/mol
LogP6.36
Rot. Bonds8

About 1-pentyl-4-[(1R,3R)-3-propoxycyclohexyl]cyclohexane

1-pentyl-4-[(1R,3R)-3-propoxycyclohexyl]cyclohexane (PubChem CID 18640354) has the molecular formula C20H38O and a molecular weight of 294.52 g/mol. Its IUPAC name is 1-pentyl-4-[(1R,3R)-3-propoxycyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-pentyl-4-[(1R,3R)-3-propoxycyclohexyl]cyclohexane
PubChem CID18640354
Molecular FormulaC20H38O
Molecular Weight294.52 g/mol
Exact Mass294.29
IUPAC Name1-pentyl-4-[(1R,3R)-3-propoxycyclohexyl]cyclohexane
SMILESCCCCCC1CCC([C@@H]2CCC[C@@H](OCCC)C2)CC1
InChIInChI=1S/C20H38O/c1-3-5-6-8-17-11-13-18(14-12-17)19-9-7-10-20(16-19)21-15-4-2/h17-20H,3-16H2,1-2H3/t17?,18?,19-,20-/m1/s1
InChIKeyJZKQYUOJBCZZBC-NTFDOXNWSA-N
XLogP6.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.52
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-pentyl-4-[(1R,3R)-3-propoxycyclohexyl]cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1R,3S)-1-pentoxy-3-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexane
CID 18640338
1-pentoxy-3-(4-propylcyclohexyl)cyclohexane
CID 23040994
1-butyl-3-(3-pentoxycyclohexyl)cyclohexane
CID 70406034
[3-(4-pentylcyclohexyl)cyclohexyl] acetate
CID 23040988
trans-(1R,3R)-1-heptyl-3-(4-propylcyclohexyl)cyclohexane
CID 18640305
1-[(E)-but-1-enoxy]-3-(4-heptylcyclohexyl)cyclohexane
CID 70371952
1-cyclohexyl-4-nonylcyclohexane
CID 56627592
1-chloro-3-(4-heptylcyclohexyl)cyclohexane
CID 57089080
1-hexyl-4-[3-[(E)-pent-1-enoxy]cyclohexyl]cyclohexane
CID 70371948
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-4-[(1R,3R)-3-propoxycyclohexyl]cyclohexane?
The IUPAC name of 1-pentyl-4-[(1R,3R)-3-propoxycyclohexyl]cyclohexane (CID 18640354) is 1-pentyl-4-[(1R,3R)-3-propoxycyclohexyl]cyclohexane.
What is the SMILES notation for 1-pentyl-4-[(1R,3R)-3-propoxycyclohexyl]cyclohexane?
The canonical SMILES for 1-pentyl-4-[(1R,3R)-3-propoxycyclohexyl]cyclohexane is CCCCCC1CCC([C@@H]2CCC[C@@H](OCCC)C2)CC1.
What is the InChIKey of 1-pentyl-4-[(1R,3R)-3-propoxycyclohexyl]cyclohexane?
The InChIKey is JZKQYUOJBCZZBC-NTFDOXNWSA-N. The full InChI is InChI=1S/C20H38O/c1-3-5-6-8-17-11-13-18(14-12-17)19-9-7-10-20(16-19)21-15-4-2/h17-20H,3-16H2,1-2H3/t17?,18?,19-,20-/m1/s1.
What are the key properties of 1-pentyl-4-[(1R,3R)-3-propoxycyclohexyl]cyclohexane?
1-pentyl-4-[(1R,3R)-3-propoxycyclohexyl]cyclohexane has a molecular weight of 294.52 g/mol, XLogP of 6.36, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-4-[(1R,3R)-3-propoxycyclohexyl]cyclohexane is sourced from PubChem (CID 18640354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).