1-[3-(7-methoxyheptoxy)propyl]-1-propylcyclohexane

C20H40O2 — CID 170584492

IUPAC1-[3-(7-methoxyheptoxy)propyl]-1-propylcyclohexane
SMILESCCCC1(CCCOCCCCCCCOC)CCCCC1
InChIInChI=1S/C20H40O2/c1-3-13-20(14-8-7-9-15-20)16-12-19-22-18-11-6-4-5-10-17-21-2/h3-19H2,1-2H3
InChIKeyQPRSTOPOCDREKB-UHFFFAOYSA-N
MW312.54 g/mol
LogP6.13
Rot. Bonds14

About 1-[3-(7-methoxyheptoxy)propyl]-1-propylcyclohexane

1-[3-(7-methoxyheptoxy)propyl]-1-propylcyclohexane (PubChem CID 170584492) has the molecular formula C20H40O2 and a molecular weight of 312.54 g/mol. Its IUPAC name is 1-[3-(7-methoxyheptoxy)propyl]-1-propylcyclohexane.

Molecular Properties

Compound Name1-[3-(7-methoxyheptoxy)propyl]-1-propylcyclohexane
PubChem CID170584492
Molecular FormulaC20H40O2
Molecular Weight312.54 g/mol
Exact Mass312.30
IUPAC Name1-[3-(7-methoxyheptoxy)propyl]-1-propylcyclohexane
SMILESCCCC1(CCCOCCCCCCCOC)CCCCC1
InChIInChI=1S/C20H40O2/c1-3-13-20(14-8-7-9-15-20)16-12-19-22-18-11-6-4-5-10-17-21-2/h3-19H2,1-2H3
InChIKeyQPRSTOPOCDREKB-UHFFFAOYSA-N
XLogP6.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[3-(7-methoxyheptoxy)propyl]-1-propylcyclohexane 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

Bis-[(1-methyl-cyclohexyl)-methyl] ether
CID 22151670
1-(5,5-Difluoro-6,6-dimethylheptyl)-1-(ethoxymethyl)cyclohexane
CID 68343172
16-Ethyl-16-(10-fluorodecoxymethyl)hentriacontane
CID 139725281
14-(8-Fluorooctoxymethyl)-14-methylheptacosane
CID 139725313
14-Ethyl-14-(8-fluorooctoxymethyl)heptacosane
CID 139725362
16-(10-Fluorodecoxymethyl)-16-methylhentriacontane
CID 139725368
1-(4-Ethyl-4-methylhexoxy)-18-fluorooctadecane
CID 155014896
1-(4,4-Dimethylhexoxy)-17-fluoroheptadecane
CID 155014897
1-(4-Ethyl-4-methylhexoxy)-17-fluorooctadecane
CID 155015003
1-(4,4-Dimethylhexoxy)-15-fluorohexadecane
CID 155015048
[1-Ethoxy-2-(ethoxymethyl)-5-fluoro-8-methyl-5-(3-methylbutyl)nonan-2-yl]cyclohexane
CID 174162283
[5-Fluoro-7-methyl-5-(2-methylpropyl)-1-propoxy-2-(propoxymethyl)octan-2-yl]cyclohexane
CID 174162332

Frequently Asked Questions

What is the IUPAC name of 1-[3-(7-methoxyheptoxy)propyl]-1-propylcyclohexane?
The IUPAC name of 1-[3-(7-methoxyheptoxy)propyl]-1-propylcyclohexane (CID 170584492) is 1-[3-(7-methoxyheptoxy)propyl]-1-propylcyclohexane.
What is the SMILES notation for 1-[3-(7-methoxyheptoxy)propyl]-1-propylcyclohexane?
The canonical SMILES for 1-[3-(7-methoxyheptoxy)propyl]-1-propylcyclohexane is CCCC1(CCCOCCCCCCCOC)CCCCC1.
What is the InChIKey of 1-[3-(7-methoxyheptoxy)propyl]-1-propylcyclohexane?
The InChIKey is QPRSTOPOCDREKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O2/c1-3-13-20(14-8-7-9-15-20)16-12-19-22-18-11-6-4-5-10-17-21-2/h3-19H2,1-2H3.
What are the key properties of 1-[3-(7-methoxyheptoxy)propyl]-1-propylcyclohexane?
1-[3-(7-methoxyheptoxy)propyl]-1-propylcyclohexane has a molecular weight of 312.54 g/mol, XLogP of 6.13, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(7-methoxyheptoxy)propyl]-1-propylcyclohexane is sourced from PubChem (CID 170584492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).