1-pentyl-4-[3-(4-pentylcyclohexyl)oxypropyl]cyclohexane

C25H48O — CID 19738835

IUPAC1-pentyl-4-[3-(4-pentylcyclohexyl)oxypropyl]cyclohexane
SMILESCCCCCC1CCC(CCCOC2CCC(CCCCC)CC2)CC1
InChIInChI=1S/C25H48O/c1-3-5-7-10-22-13-15-24(16-14-22)12-9-21-26-25-19-17-23(18-20-25)11-8-6-4-2/h22-25H,3-21H2,1-2H3
InChIKeyHCRMBYGHCBCUNE-UHFFFAOYSA-N
MW364.66 g/mol
LogP8.31
Rot. Bonds13

About 1-pentyl-4-[3-(4-pentylcyclohexyl)oxypropyl]cyclohexane

1-pentyl-4-[3-(4-pentylcyclohexyl)oxypropyl]cyclohexane (PubChem CID 19738835) has the molecular formula C25H48O and a molecular weight of 364.66 g/mol. Its IUPAC name is 1-pentyl-4-[3-(4-pentylcyclohexyl)oxypropyl]cyclohexane.

Molecular Properties

Compound Name1-pentyl-4-[3-(4-pentylcyclohexyl)oxypropyl]cyclohexane
PubChem CID19738835
Molecular FormulaC25H48O
Molecular Weight364.66 g/mol
Exact Mass364.37
IUPAC Name1-pentyl-4-[3-(4-pentylcyclohexyl)oxypropyl]cyclohexane
SMILESCCCCCC1CCC(CCCOC2CCC(CCCCC)CC2)CC1
InChIInChI=1S/C25H48O/c1-3-5-7-10-22-13-15-24(16-14-22)12-9-21-26-25-19-17-23(18-20-25)11-8-6-4-2/h22-25H,3-21H2,1-2H3
InChIKeyHCRMBYGHCBCUNE-UHFFFAOYSA-N
XLogP8.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.66
LogP ≤ 58.31
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-[3-(4-pentylcyclohexyl)oxypropyl]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

1-ethyl-4-[3-(4-heptylcyclohexyl)oxypropyl]cyclohexane
CID 19739160
1-pentyl-4-[3-[4-(4-propylcyclohexyl)cyclohexyl]oxypropyl]cyclohexane
CID 19739113
heptoxycyclopropane
CID 54099544
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
1,4-dihexylcyclohexane
CID 22947938
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
1-ethyl-4-hexoxycyclohexane
CID 142019346
azane;hexylcyclopropane
CID 135322230
hexane;pentylcyclopropane
CID 159592467
1-methyl-4-[(4-pentylcyclohexyl)oxymethyl]cyclohexane
CID 20516714
1-[4-[3-(4-hexylcyclohexyl)propoxy]cyclohexyl]-4-pentylbenzene
CID 19738829

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-4-[3-(4-pentylcyclohexyl)oxypropyl]cyclohexane?
The IUPAC name of 1-pentyl-4-[3-(4-pentylcyclohexyl)oxypropyl]cyclohexane (CID 19738835) is 1-pentyl-4-[3-(4-pentylcyclohexyl)oxypropyl]cyclohexane.
What is the SMILES notation for 1-pentyl-4-[3-(4-pentylcyclohexyl)oxypropyl]cyclohexane?
The canonical SMILES for 1-pentyl-4-[3-(4-pentylcyclohexyl)oxypropyl]cyclohexane is CCCCCC1CCC(CCCOC2CCC(CCCCC)CC2)CC1.
What is the InChIKey of 1-pentyl-4-[3-(4-pentylcyclohexyl)oxypropyl]cyclohexane?
The InChIKey is HCRMBYGHCBCUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48O/c1-3-5-7-10-22-13-15-24(16-14-22)12-9-21-26-25-19-17-23(18-20-25)11-8-6-4-2/h22-25H,3-21H2,1-2H3.
What are the key properties of 1-pentyl-4-[3-(4-pentylcyclohexyl)oxypropyl]cyclohexane?
1-pentyl-4-[3-(4-pentylcyclohexyl)oxypropyl]cyclohexane has a molecular weight of 364.66 g/mol, XLogP of 8.31, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-4-[3-(4-pentylcyclohexyl)oxypropyl]cyclohexane is sourced from PubChem (CID 19738835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).