2-[butyl(dodecoxy)phosphoryl]oxyethylcyclohexane

C24H49O3P — CID 91716669

IUPAC2-[butyl(dodecoxy)phosphoryl]oxyethylcyclohexane
SMILESCCCCCCCCCCCCOP(=O)(CCCC)OCCC1CCCCC1
InChIInChI=1S/C24H49O3P/c1-3-5-7-8-9-10-11-12-13-17-21-26-28(25,23-6-4-2)27-22-20-24-18-15-14-16-19-24/h24H,3-23H2,1-2H3
InChIKeyXLXWSYKOPGEIGO-UHFFFAOYSA-N
MW416.63 g/mol
LogP8.90
Rot. Bonds19

About 2-[butyl(dodecoxy)phosphoryl]oxyethylcyclohexane

2-[butyl(dodecoxy)phosphoryl]oxyethylcyclohexane (PubChem CID 91716669) has the molecular formula C24H49O3P and a molecular weight of 416.63 g/mol. Its IUPAC name is 2-[butyl(dodecoxy)phosphoryl]oxyethylcyclohexane.

Molecular Properties

Compound Name2-[butyl(dodecoxy)phosphoryl]oxyethylcyclohexane
PubChem CID91716669
Molecular FormulaC24H49O3P
Molecular Weight416.63 g/mol
Exact Mass416.34
IUPAC Name2-[butyl(dodecoxy)phosphoryl]oxyethylcyclohexane
SMILESCCCCCCCCCCCCOP(=O)(CCCC)OCCC1CCCCC1
InChIInChI=1S/C24H49O3P/c1-3-5-7-8-9-10-11-12-13-17-21-26-28(25,23-6-4-2)27-22-20-24-18-15-14-16-19-24/h24H,3-23H2,1-2H3
InChIKeyXLXWSYKOPGEIGO-UHFFFAOYSA-N
XLogP8.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.63
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[butyl(dodecoxy)phosphoryl]oxyethylcyclohexane 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

2-[butyl(pentoxy)phosphoryl]oxyethylcyclohexane
CID 91716564
1-[butyl(hexoxy)phosphoryl]oxyoctadecane
CID 91716589
1-[butyl(pentoxy)phosphoryl]oxypentadecane
CID 91716553
1-[butyl(hexoxy)phosphoryl]oxyhexadecane
CID 91716578
1-[butoxy(butyl)phosphoryl]oxyheptane
CID 88847148
[butoxy(butyl)phosphoryl]oxycyclohexane
CID 87506579
1-didecoxyphosphoryltetradecane
CID 151616748
1-dihexoxyphosphoryltetradecane
CID 151638840
1-dioctoxyphosphoryldecane
CID 141369437
1-diheptoxyphosphoryloctadecane
CID 153322672
1-[butyl(2,2-dimethylpropoxy)phosphoryl]oxyheptadecane
CID 91716431
1-dibutoxyphosphoryloctacosane
CID 141204672

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(dodecoxy)phosphoryl]oxyethylcyclohexane?
The IUPAC name of 2-[butyl(dodecoxy)phosphoryl]oxyethylcyclohexane (CID 91716669) is 2-[butyl(dodecoxy)phosphoryl]oxyethylcyclohexane.
What is the SMILES notation for 2-[butyl(dodecoxy)phosphoryl]oxyethylcyclohexane?
The canonical SMILES for 2-[butyl(dodecoxy)phosphoryl]oxyethylcyclohexane is CCCCCCCCCCCCOP(=O)(CCCC)OCCC1CCCCC1.
What is the InChIKey of 2-[butyl(dodecoxy)phosphoryl]oxyethylcyclohexane?
The InChIKey is XLXWSYKOPGEIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49O3P/c1-3-5-7-8-9-10-11-12-13-17-21-26-28(25,23-6-4-2)27-22-20-24-18-15-14-16-19-24/h24H,3-23H2,1-2H3.
What are the key properties of 2-[butyl(dodecoxy)phosphoryl]oxyethylcyclohexane?
2-[butyl(dodecoxy)phosphoryl]oxyethylcyclohexane has a molecular weight of 416.63 g/mol, XLogP of 8.90, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(dodecoxy)phosphoryl]oxyethylcyclohexane is sourced from PubChem (CID 91716669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).