2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]dodecyl dihydrogen phosphate

C39H79O17P — CID 102161020

IUPAC2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]dodecyl dihydrogen phosphate
SMILESC=CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(CCCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C39H79O17P/c1-3-5-6-7-8-9-10-11-12-39(38-56-57(40,41)42)55-37-36-54-35-34-53-33-32-52-31-30-51-29-28-50-27-26-49-25-24-48-23-22-47-21-20-46-19-18-45-17-16-44-15-14-43-13-4-2/h4,39H,2-3,5-38H2,1H3,(H2,40,41,42)
InChIKeyTYIVNCUWLHTSAV-UHFFFAOYSA-N
MW851.02 g/mol
LogP4.40
Rot. Bonds51

About 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]dodecyl dihydrogen phosphate

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]dodecyl dihydrogen phosphate (PubChem CID 102161020) has the molecular formula C39H79O17P and a molecular weight of 851.02 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]dodecyl dihydrogen phosphate.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]dodecyl dihydrogen phosphate
PubChem CID102161020
Molecular FormulaC39H79O17P
Molecular Weight851.02 g/mol
Exact Mass850.51
IUPAC Name2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]dodecyl dihydrogen phosphate
SMILESC=CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(CCCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C39H79O17P/c1-3-5-6-7-8-9-10-11-12-39(38-56-57(40,41)42)55-37-36-54-35-34-53-33-32-52-31-30-51-29-28-50-27-26-49-25-24-48-23-22-47-21-20-46-19-18-45-17-16-44-15-14-43-13-4-2/h4,39H,2-3,5-38H2,1H3,(H2,40,41,42)
InChIKeyTYIVNCUWLHTSAV-UHFFFAOYSA-N
XLogP4.40
TPSA186.75 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds51
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.02
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]dodecyl dihydrogen phosphate with MolForge

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Related Compounds

2,3-didecoxypropyl dihydrogen phosphate
CID 87439612
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl prop-2-enoate
CID 102433631
2,3-bis(prop-2-enoxy)propyl dihydrogen phosphate
CID 174891666
N,N-diethylethanamine;2,3-dihexadecoxypropyl dihydrogen phosphate
CID 174751487
[(2S)-2-decoxy-3-dodecylsulfanylpropyl] dihydrogen phosphate
CID 59819538
[(2R)-2-phenylmethoxyhenicosyl] dihydrogen phosphate
CID 175428247
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-tridecan-6-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 87268686
2-[2-(2-phenoxyicosoxy)ethoxy]ethyl dihydrogen phosphate
CID 151774645
2-[2-(2-phenoxydodecoxy)ethoxy]ethyl dihydrogen phosphate
CID 150186674
2-[2-(2-phenoxyheptadecoxy)ethoxy]ethyl dihydrogen phosphate
CID 150437630
1,2,3-tris[2-[2-[2-[2-[2-[2-[2-[2-[3-(3-prop-2-enoxypropoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 59107254
2-(2-octadecoxyethoxy)ethyl dihydrogen phosphate
CID 72941562

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]dodecyl dihydrogen phosphate?
The IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]dodecyl dihydrogen phosphate (CID 102161020) is 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]dodecyl dihydrogen phosphate.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]dodecyl dihydrogen phosphate?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]dodecyl dihydrogen phosphate is C=CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(CCCCCCCCCC)COP(=O)(O)O.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]dodecyl dihydrogen phosphate?
The InChIKey is TYIVNCUWLHTSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H79O17P/c1-3-5-6-7-8-9-10-11-12-39(38-56-57(40,41)42)55-37-36-54-35-34-53-33-32-52-31-30-51-29-28-50-27-26-49-25-24-48-23-22-47-21-20-46-19-18-45-17-16-44-15-14-43-13-4-2/h4,39H,2-3,5-38H2,1H3,(H2,40,41,42).
What are the key properties of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]dodecyl dihydrogen phosphate?
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]dodecyl dihydrogen phosphate has a molecular weight of 851.02 g/mol, XLogP of 4.40, 51 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]dodecyl dihydrogen phosphate is sourced from PubChem (CID 102161020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).