ethyl iodomethyl octyl phosphate

C11H24IO4P — CID 88723495

IUPACethyl iodomethyl octyl phosphate
SMILESCCCCCCCCOP(=O)(OCC)OCI
InChIInChI=1S/C11H24IO4P/c1-3-5-6-7-8-9-10-15-17(13,14-4-2)16-11-12/h3-11H2,1-2H3
InChIKeyWWQTVRNDLLCCSC-UHFFFAOYSA-N
MW378.19 g/mol
LogP4.92
Rot. Bonds12

About ethyl iodomethyl octyl phosphate

ethyl iodomethyl octyl phosphate (PubChem CID 88723495) has the molecular formula C11H24IO4P and a molecular weight of 378.19 g/mol. Its IUPAC name is ethyl iodomethyl octyl phosphate.

Molecular Properties

Compound Nameethyl iodomethyl octyl phosphate
PubChem CID88723495
Molecular FormulaC11H24IO4P
Molecular Weight378.19 g/mol
Exact Mass378.05
IUPAC Nameethyl iodomethyl octyl phosphate
SMILESCCCCCCCCOP(=O)(OCC)OCI
InChIInChI=1S/C11H24IO4P/c1-3-5-6-7-8-9-10-15-17(13,14-4-2)16-11-12/h3-11H2,1-2H3
InChIKeyWWQTVRNDLLCCSC-UHFFFAOYSA-N
XLogP4.92
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.19
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

azane;didodecyl ethyl phosphate
CID 170436215
dodecyl dioctyl phosphate
CID 57134013
5-diethoxyphosphoryloxypentyl diethyl phosphate
CID 23412798
diheptyl hexyl phosphate
CID 175578950
diheptyl propyl phosphate
CID 22497721
potassium tris-decyl phosphate
CID 21118666
methane;trioctyl phosphate
CID 174464331
alumane;trioctyl phosphate
CID 175071420
butyl dihexyl phosphate
CID 22497695
dibutyl decyl phosphate
CID 19784867
ethyl fluoro octyl phosphate
CID 141337473
tris(3-pentadecoxypropyl) phosphate
CID 126525532

Frequently Asked Questions

What is the IUPAC name of ethyl iodomethyl octyl phosphate?
The IUPAC name of ethyl iodomethyl octyl phosphate (CID 88723495) is ethyl iodomethyl octyl phosphate.
What is the SMILES notation for ethyl iodomethyl octyl phosphate?
The canonical SMILES for ethyl iodomethyl octyl phosphate is CCCCCCCCOP(=O)(OCC)OCI.
What is the InChIKey of ethyl iodomethyl octyl phosphate?
The InChIKey is WWQTVRNDLLCCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24IO4P/c1-3-5-6-7-8-9-10-15-17(13,14-4-2)16-11-12/h3-11H2,1-2H3.
What are the key properties of ethyl iodomethyl octyl phosphate?
ethyl iodomethyl octyl phosphate has a molecular weight of 378.19 g/mol, XLogP of 4.92, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl iodomethyl octyl phosphate is sourced from PubChem (CID 88723495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).