1-[dodecoxy(ethyl)phosphoryl]oxydodecane

C26H55O3P — CID 154323164

IUPAC1-[dodecoxy(ethyl)phosphoryl]oxydodecane
SMILESCCCCCCCCCCCCOP(=O)(CC)OCCCCCCCCCCCC
InChIInChI=1S/C26H55O3P/c1-4-7-9-11-13-15-17-19-21-23-25-28-30(27,6-3)29-26-24-22-20-18-16-14-12-10-8-5-2/h4-26H2,1-3H3
InChIKeyQMRBPJYCQOVXDE-UHFFFAOYSA-N
MW446.70 g/mol
LogP10.07
Rot. Bonds25

About 1-[dodecoxy(ethyl)phosphoryl]oxydodecane

1-[dodecoxy(ethyl)phosphoryl]oxydodecane (PubChem CID 154323164) has the molecular formula C26H55O3P and a molecular weight of 446.70 g/mol. Its IUPAC name is 1-[dodecoxy(ethyl)phosphoryl]oxydodecane.

Molecular Properties

Compound Name1-[dodecoxy(ethyl)phosphoryl]oxydodecane
PubChem CID154323164
Molecular FormulaC26H55O3P
Molecular Weight446.70 g/mol
Exact Mass446.39
IUPAC Name1-[dodecoxy(ethyl)phosphoryl]oxydodecane
SMILESCCCCCCCCCCCCOP(=O)(CC)OCCCCCCCCCCCC
InChIInChI=1S/C26H55O3P/c1-4-7-9-11-13-15-17-19-21-23-25-28-30(27,6-3)29-26-24-22-20-18-16-14-12-10-8-5-2/h4-26H2,1-3H3
InChIKeyQMRBPJYCQOVXDE-UHFFFAOYSA-N
XLogP10.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds25
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.70
LogP ≤ 510.07
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-[ethyl(octoxy)phosphoryl]oxyoctane
CID 574233
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-[dodecoxy(ethyl)phosphoryl]oxydodecane?
The IUPAC name of 1-[dodecoxy(ethyl)phosphoryl]oxydodecane (CID 154323164) is 1-[dodecoxy(ethyl)phosphoryl]oxydodecane.
What is the SMILES notation for 1-[dodecoxy(ethyl)phosphoryl]oxydodecane?
The canonical SMILES for 1-[dodecoxy(ethyl)phosphoryl]oxydodecane is CCCCCCCCCCCCOP(=O)(CC)OCCCCCCCCCCCC.
What is the InChIKey of 1-[dodecoxy(ethyl)phosphoryl]oxydodecane?
The InChIKey is QMRBPJYCQOVXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H55O3P/c1-4-7-9-11-13-15-17-19-21-23-25-28-30(27,6-3)29-26-24-22-20-18-16-14-12-10-8-5-2/h4-26H2,1-3H3.
What are the key properties of 1-[dodecoxy(ethyl)phosphoryl]oxydodecane?
1-[dodecoxy(ethyl)phosphoryl]oxydodecane has a molecular weight of 446.70 g/mol, XLogP of 10.07, 25 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dodecoxy(ethyl)phosphoryl]oxydodecane is sourced from PubChem (CID 154323164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).