diethyl 8-oxotetradecan-7-yl phosphate

C18H37O5P — CID 15243695

IUPACdiethyl 8-oxotetradecan-7-yl phosphate
SMILESCCCCCCC(=O)C(CCCCCC)OP(=O)(OCC)OCC
InChIInChI=1S/C18H37O5P/c1-5-9-11-13-15-17(19)18(16-14-12-10-6-2)23-24(20,21-7-3)22-8-4/h18H,5-16H2,1-4H3
InChIKeyXAXOPLSHIUKSOG-UHFFFAOYSA-N
MW364.46 g/mol
LogP6.06
Rot. Bonds17

About diethyl 8-oxotetradecan-7-yl phosphate

diethyl 8-oxotetradecan-7-yl phosphate (PubChem CID 15243695) has the molecular formula C18H37O5P and a molecular weight of 364.46 g/mol. Its IUPAC name is diethyl 8-oxotetradecan-7-yl phosphate.

Molecular Properties

Compound Namediethyl 8-oxotetradecan-7-yl phosphate
PubChem CID15243695
Molecular FormulaC18H37O5P
Molecular Weight364.46 g/mol
Exact Mass364.24
IUPAC Namediethyl 8-oxotetradecan-7-yl phosphate
SMILESCCCCCCC(=O)C(CCCCCC)OP(=O)(OCC)OCC
InChIInChI=1S/C18H37O5P/c1-5-9-11-13-15-17(19)18(16-14-12-10-6-2)23-24(20,21-7-3)22-8-4/h18H,5-16H2,1-4H3
InChIKeyXAXOPLSHIUKSOG-UHFFFAOYSA-N
XLogP6.06
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.46
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2-diethoxyphosphoryloxyundecanoic acid
CID 140606222
[2-[ethoxy(hydroxy)phosphoryl]oxy-3-oxohexadecyl]-trimethylazanium
CID 174747539
ethyl [3-oxo-1-(trimethylazaniumyl)tetradecan-2-yl] phosphate
CID 172803699
4-methoxypentadecan-5-one
CID 116708152
ethyl bis(2-heptylundecyl) phosphate
CID 10963237
13-pentadecylheptacosane-12,14-dione
CID 141100144
copper(1+);diethyl oct-1-yn-3-yl phosphate
CID 10426447
(11S)-11-hydroxyicosan-10-one
CID 98053519
15-hydroxyoctacosan-14-one
CID 11270216
(9R)-9-hydroxyhexadecan-8-one
CID 97045448
(9S)-9-hydroxyhexadecan-8-one
CID 97045447
1,1-diethoxydodecan-2-one
CID 79494973

Frequently Asked Questions

What is the IUPAC name of diethyl 8-oxotetradecan-7-yl phosphate?
The IUPAC name of diethyl 8-oxotetradecan-7-yl phosphate (CID 15243695) is diethyl 8-oxotetradecan-7-yl phosphate.
What is the SMILES notation for diethyl 8-oxotetradecan-7-yl phosphate?
The canonical SMILES for diethyl 8-oxotetradecan-7-yl phosphate is CCCCCCC(=O)C(CCCCCC)OP(=O)(OCC)OCC.
What is the InChIKey of diethyl 8-oxotetradecan-7-yl phosphate?
The InChIKey is XAXOPLSHIUKSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37O5P/c1-5-9-11-13-15-17(19)18(16-14-12-10-6-2)23-24(20,21-7-3)22-8-4/h18H,5-16H2,1-4H3.
What are the key properties of diethyl 8-oxotetradecan-7-yl phosphate?
diethyl 8-oxotetradecan-7-yl phosphate has a molecular weight of 364.46 g/mol, XLogP of 6.06, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 8-oxotetradecan-7-yl phosphate is sourced from PubChem (CID 15243695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).