1-[ethyl(octoxy)phosphoryl]oxyoctane

C18H39O3P — CID 574233

IUPAC1-[ethyl(octoxy)phosphoryl]oxyoctane
SMILESCCCCCCCCOP(=O)(CC)OCCCCCCCC
InChIInChI=1S/C18H39O3P/c1-4-7-9-11-13-15-17-20-22(19,6-3)21-18-16-14-12-10-8-5-2/h4-18H2,1-3H3
InChIKeyQCLSSHCNJSKZPQ-UHFFFAOYSA-N
MW334.48 g/mol
LogP6.95
Rot. Bonds17

About 1-[ethyl(octoxy)phosphoryl]oxyoctane

1-[ethyl(octoxy)phosphoryl]oxyoctane (PubChem CID 574233) has the molecular formula C18H39O3P and a molecular weight of 334.48 g/mol. Its IUPAC name is 1-[ethyl(octoxy)phosphoryl]oxyoctane.

Molecular Properties

Compound Name1-[ethyl(octoxy)phosphoryl]oxyoctane
PubChem CID574233
Molecular FormulaC18H39O3P
Molecular Weight334.48 g/mol
Exact Mass334.26
IUPAC Name1-[ethyl(octoxy)phosphoryl]oxyoctane
SMILESCCCCCCCCOP(=O)(CC)OCCCCCCCC
InChIInChI=1S/C18H39O3P/c1-4-7-9-11-13-15-17-20-22(19,6-3)21-18-16-14-12-10-8-5-2/h4-18H2,1-3H3
InChIKeyQCLSSHCNJSKZPQ-UHFFFAOYSA-N
XLogP6.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.48
LogP ≤ 56.95
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'}

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Related Compounds

1-[dodecoxy(ethyl)phosphoryl]oxydodecane
CID 154323164
1-[ethoxy(ethyl)phosphoryl]oxyheptane
CID 88847628
1-dihexoxyphosphoryltetradecane
CID 151638840
1-dioctoxyphosphoryldecane
CID 141369437
1-didecoxyphosphoryltetradecane
CID 151616748
1-[butyl(hexoxy)phosphoryl]oxyoctadecane
CID 91716589
1-[butyl(pentoxy)phosphoryl]oxypentadecane
CID 91716553
1-[butyl(hexoxy)phosphoryl]oxyhexadecane
CID 91716578
1-diheptoxyphosphoryloctadecane
CID 153322672
1-[butoxy(butyl)phosphoryl]oxyheptane
CID 88847148
3-[[ethyl(hexoxy)phosphoryl]oxymethyl]heptane
CID 174538298
dodecyl dioctyl phosphate
CID 57134013

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(octoxy)phosphoryl]oxyoctane?
The IUPAC name of 1-[ethyl(octoxy)phosphoryl]oxyoctane (CID 574233) is 1-[ethyl(octoxy)phosphoryl]oxyoctane.
What is the SMILES notation for 1-[ethyl(octoxy)phosphoryl]oxyoctane?
The canonical SMILES for 1-[ethyl(octoxy)phosphoryl]oxyoctane is CCCCCCCCOP(=O)(CC)OCCCCCCCC.
What is the InChIKey of 1-[ethyl(octoxy)phosphoryl]oxyoctane?
The InChIKey is QCLSSHCNJSKZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39O3P/c1-4-7-9-11-13-15-17-20-22(19,6-3)21-18-16-14-12-10-8-5-2/h4-18H2,1-3H3.
What are the key properties of 1-[ethyl(octoxy)phosphoryl]oxyoctane?
1-[ethyl(octoxy)phosphoryl]oxyoctane has a molecular weight of 334.48 g/mol, XLogP of 6.95, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(octoxy)phosphoryl]oxyoctane is sourced from PubChem (CID 574233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).