1-[ethyl(octyl)phosphoryl]oxyoctane

C18H39O2P — CID 174639586

IUPAC1-[ethyl(octyl)phosphoryl]oxyoctane
SMILESCCCCCCCCOP(=O)(CC)CCCCCCCC
InChIInChI=1S/C18H39O2P/c1-4-7-9-11-13-15-17-20-21(19,6-3)18-16-14-12-10-8-5-2/h4-18H2,1-3H3
InChIKeyUXULXMYOAHEWAW-UHFFFAOYSA-N
MW318.48 g/mol
LogP7.02
Rot. Bonds16

About 1-[ethyl(octyl)phosphoryl]oxyoctane

1-[ethyl(octyl)phosphoryl]oxyoctane (PubChem CID 174639586) has the molecular formula C18H39O2P and a molecular weight of 318.48 g/mol. Its IUPAC name is 1-[ethyl(octyl)phosphoryl]oxyoctane.

Molecular Properties

Compound Name1-[ethyl(octyl)phosphoryl]oxyoctane
PubChem CID174639586
Molecular FormulaC18H39O2P
Molecular Weight318.48 g/mol
Exact Mass318.27
IUPAC Name1-[ethyl(octyl)phosphoryl]oxyoctane
SMILESCCCCCCCCOP(=O)(CC)CCCCCCCC
InChIInChI=1S/C18H39O2P/c1-4-7-9-11-13-15-17-20-21(19,6-3)18-16-14-12-10-8-5-2/h4-18H2,1-3H3
InChIKeyUXULXMYOAHEWAW-UHFFFAOYSA-N
XLogP7.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.48
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

[butoxy(hexyl)phosphoryl]methanol
CID 86752200
heptoxy(octadecyl)phosphinic acid
CID 139947141
decoxy(decyl)phosphinic acid;iron
CID 87601920
dodecyl(nonoxy)phosphinic acid
CID 139947157
hexyl(pentoxy)phosphinic acid
CID 139947056
1-diheptoxyphosphoryloctadecane
CID 153322672
1-dioctoxyphosphoryldecane
CID 141369437
1-didecoxyphosphoryltetradecane
CID 151616748
1-dihexoxyphosphoryltetradecane
CID 151638840
1-[2-bromoethyl(ethyl)phosphoryl]oxybutane
CID 71444655
1-[2-[butoxy(ethyl)phosphoryl]ethoxy]butane
CID 87380274
1-[methyl(octadecyl)phosphoryl]oxyoctadecane
CID 174492460

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(octyl)phosphoryl]oxyoctane?
The IUPAC name of 1-[ethyl(octyl)phosphoryl]oxyoctane (CID 174639586) is 1-[ethyl(octyl)phosphoryl]oxyoctane.
What is the SMILES notation for 1-[ethyl(octyl)phosphoryl]oxyoctane?
The canonical SMILES for 1-[ethyl(octyl)phosphoryl]oxyoctane is CCCCCCCCOP(=O)(CC)CCCCCCCC.
What is the InChIKey of 1-[ethyl(octyl)phosphoryl]oxyoctane?
The InChIKey is UXULXMYOAHEWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39O2P/c1-4-7-9-11-13-15-17-20-21(19,6-3)18-16-14-12-10-8-5-2/h4-18H2,1-3H3.
What are the key properties of 1-[ethyl(octyl)phosphoryl]oxyoctane?
1-[ethyl(octyl)phosphoryl]oxyoctane has a molecular weight of 318.48 g/mol, XLogP of 7.02, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(octyl)phosphoryl]oxyoctane is sourced from PubChem (CID 174639586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).