1-[butyl(pentoxy)phosphoryl]oxypentadecane

C24H51O3P — CID 91716553

IUPAC1-[butyl(pentoxy)phosphoryl]oxypentadecane
SMILESCCCCCCCCCCCCCCCOP(=O)(CCCC)OCCCCC
InChIInChI=1S/C24H51O3P/c1-4-7-10-11-12-13-14-15-16-17-18-19-21-23-27-28(25,24-9-6-3)26-22-20-8-5-2/h4-24H2,1-3H3
InChIKeyYBQXZZZFHJQZQJ-UHFFFAOYSA-N
MW418.64 g/mol
LogP9.29
Rot. Bonds23

About 1-[butyl(pentoxy)phosphoryl]oxypentadecane

1-[butyl(pentoxy)phosphoryl]oxypentadecane (PubChem CID 91716553) has the molecular formula C24H51O3P and a molecular weight of 418.64 g/mol. Its IUPAC name is 1-[butyl(pentoxy)phosphoryl]oxypentadecane.

Molecular Properties

Compound Name1-[butyl(pentoxy)phosphoryl]oxypentadecane
PubChem CID91716553
Molecular FormulaC24H51O3P
Molecular Weight418.64 g/mol
Exact Mass418.36
IUPAC Name1-[butyl(pentoxy)phosphoryl]oxypentadecane
SMILESCCCCCCCCCCCCCCCOP(=O)(CCCC)OCCCCC
InChIInChI=1S/C24H51O3P/c1-4-7-10-11-12-13-14-15-16-17-18-19-21-23-27-28(25,24-9-6-3)26-22-20-8-5-2/h4-24H2,1-3H3
InChIKeyYBQXZZZFHJQZQJ-UHFFFAOYSA-N
XLogP9.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.64
LogP ≤ 59.29
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 1-[butyl(pentoxy)phosphoryl]oxypentadecane 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-[butyl(hexoxy)phosphoryl]oxyoctadecane
CID 91716589
1-[butyl(hexoxy)phosphoryl]oxyhexadecane
CID 91716578
1-[butoxy(butyl)phosphoryl]oxyheptane
CID 88847148
1-dihexoxyphosphoryltetradecane
CID 151638840
1-dioctoxyphosphoryldecane
CID 141369437
1-didecoxyphosphoryltetradecane
CID 151616748
1-diheptoxyphosphoryloctadecane
CID 153322672
1-dibutoxyphosphoryloctacosane
CID 141204672
1-[butyl(2,2-dimethylpropoxy)phosphoryl]oxyheptadecane
CID 91716431
1-[butyl(2-methylpropoxy)phosphoryl]oxyoctadecane
CID 91716506
1-[butyl(2-methylpropoxy)phosphoryl]oxydodecane
CID 91716241
1-[butyl(2-methylpropoxy)phosphoryl]oxypentadecane
CID 91716510

Frequently Asked Questions

What is the IUPAC name of 1-[butyl(pentoxy)phosphoryl]oxypentadecane?
The IUPAC name of 1-[butyl(pentoxy)phosphoryl]oxypentadecane (CID 91716553) is 1-[butyl(pentoxy)phosphoryl]oxypentadecane.
What is the SMILES notation for 1-[butyl(pentoxy)phosphoryl]oxypentadecane?
The canonical SMILES for 1-[butyl(pentoxy)phosphoryl]oxypentadecane is CCCCCCCCCCCCCCCOP(=O)(CCCC)OCCCCC.
What is the InChIKey of 1-[butyl(pentoxy)phosphoryl]oxypentadecane?
The InChIKey is YBQXZZZFHJQZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51O3P/c1-4-7-10-11-12-13-14-15-16-17-18-19-21-23-27-28(25,24-9-6-3)26-22-20-8-5-2/h4-24H2,1-3H3.
What are the key properties of 1-[butyl(pentoxy)phosphoryl]oxypentadecane?
1-[butyl(pentoxy)phosphoryl]oxypentadecane has a molecular weight of 418.64 g/mol, XLogP of 9.29, 23 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butyl(pentoxy)phosphoryl]oxypentadecane is sourced from PubChem (CID 91716553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).