tris[2-(2-methylprop-2-enoxy)ethyl] phosphate

C18H33O7P — CID 87424877

IUPACtris[2-(2-methylprop-2-enoxy)ethyl] phosphate
SMILESC=C(C)COCCOP(=O)(OCCOCC(=C)C)OCCOCC(=C)C
InChIInChI=1S/C18H33O7P/c1-16(2)13-20-7-10-23-26(19,24-11-8-21-14-17(3)4)25-12-9-22-15-18(5)6/h1,3,5,7-15H2,2,4,6H3
InChIKeyYKVJNQABMYLQAP-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.92
Rot. Bonds18

About tris[2-(2-methylprop-2-enoxy)ethyl] phosphate

tris[2-(2-methylprop-2-enoxy)ethyl] phosphate (PubChem CID 87424877) has the molecular formula C18H33O7P and a molecular weight of 392.43 g/mol. Its IUPAC name is tris[2-(2-methylprop-2-enoxy)ethyl] phosphate.

Molecular Properties

Compound Nametris[2-(2-methylprop-2-enoxy)ethyl] phosphate
PubChem CID87424877
Molecular FormulaC18H33O7P
Molecular Weight392.43 g/mol
Exact Mass392.20
IUPAC Nametris[2-(2-methylprop-2-enoxy)ethyl] phosphate
SMILESC=C(C)COCCOP(=O)(OCCOCC(=C)C)OCCOCC(=C)C
InChIInChI=1S/C18H33O7P/c1-16(2)13-20-7-10-23-26(19,24-11-8-21-14-17(3)4)25-12-9-22-15-18(5)6/h1,3,5,7-15H2,2,4,6H3
InChIKeyYKVJNQABMYLQAP-UHFFFAOYSA-N
XLogP3.92
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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'}

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Related Compounds

2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 12693581
1-[2-(2-methylprop-2-enoxy)ethoxy]butane
CID 87922728
bis(3-methylbut-3-enoxy)phosphoryl bis(3-methylbut-3-enyl) phosphate
CID 23615474
2-ethoxyethyl diethyl phosphate
CID 3052884
2-methyl-3-(2-methylprop-2-enoxymethoxy)prop-1-ene
CID 10942706
4-(2-methylprop-2-enoxy)butanoic acid
CID 10103402
tris(2-butoxyethyl) phosphate
CID 6540
CID 59269543
CID 59269543
1-O-methyl 4-O-[2-(2-methylprop-2-enoxy)ethyl] butanedioate
CID 123402885
1-(2-methylprop-2-enoxy)dodecane
CID 156690078
2-(2-hydroxyethoxy)ethanol;2-methyl-3-(2-methylprop-2-enoxy)prop-1-ene
CID 22133408
tris[2-[2-[2-(chloromethoxy)ethoxy]ethoxy]ethyl] phosphate
CID 102315905

Frequently Asked Questions

What is the IUPAC name of tris[2-(2-methylprop-2-enoxy)ethyl] phosphate?
The IUPAC name of tris[2-(2-methylprop-2-enoxy)ethyl] phosphate (CID 87424877) is tris[2-(2-methylprop-2-enoxy)ethyl] phosphate.
What is the SMILES notation for tris[2-(2-methylprop-2-enoxy)ethyl] phosphate?
The canonical SMILES for tris[2-(2-methylprop-2-enoxy)ethyl] phosphate is C=C(C)COCCOP(=O)(OCCOCC(=C)C)OCCOCC(=C)C.
What is the InChIKey of tris[2-(2-methylprop-2-enoxy)ethyl] phosphate?
The InChIKey is YKVJNQABMYLQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33O7P/c1-16(2)13-20-7-10-23-26(19,24-11-8-21-14-17(3)4)25-12-9-22-15-18(5)6/h1,3,5,7-15H2,2,4,6H3.
What are the key properties of tris[2-(2-methylprop-2-enoxy)ethyl] phosphate?
tris[2-(2-methylprop-2-enoxy)ethyl] phosphate has a molecular weight of 392.43 g/mol, XLogP of 3.92, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris[2-(2-methylprop-2-enoxy)ethyl] phosphate is sourced from PubChem (CID 87424877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).