2-[propan-2-yl(propan-2-yloxy)phosphoryl]oxyethyl 2-methylprop-2-enoate

C12H23O5P — CID 175590056

IUPAC2-[propan-2-yl(propan-2-yloxy)phosphoryl]oxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOP(=O)(OC(C)C)C(C)C
InChIInChI=1S/C12H23O5P/c1-9(2)12(13)15-7-8-16-18(14,11(5)6)17-10(3)4/h10-11H,1,7-8H2,2-6H3
InChIKeyKFJTURPPEIQFNT-UHFFFAOYSA-N
MW278.29 g/mol
LogP3.15
Rot. Bonds8

About 2-[propan-2-yl(propan-2-yloxy)phosphoryl]oxyethyl 2-methylprop-2-enoate

2-[propan-2-yl(propan-2-yloxy)phosphoryl]oxyethyl 2-methylprop-2-enoate (PubChem CID 175590056) has the molecular formula C12H23O5P and a molecular weight of 278.29 g/mol. Its IUPAC name is 2-[propan-2-yl(propan-2-yloxy)phosphoryl]oxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[propan-2-yl(propan-2-yloxy)phosphoryl]oxyethyl 2-methylprop-2-enoate
PubChem CID175590056
Molecular FormulaC12H23O5P
Molecular Weight278.29 g/mol
Exact Mass278.13
IUPAC Name2-[propan-2-yl(propan-2-yloxy)phosphoryl]oxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOP(=O)(OC(C)C)C(C)C
InChIInChI=1S/C12H23O5P/c1-9(2)12(13)15-7-8-16-18(14,11(5)6)17-10(3)4/h10-11H,1,7-8H2,2-6H3
InChIKeyKFJTURPPEIQFNT-UHFFFAOYSA-N
XLogP3.15
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-dimethylphosphoryloxyethyl 2-methylprop-2-enoate
CID 54281312
2-dichlorophosphoryloxyethyl 2-methylprop-2-enoate
CID 13363024
1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 2-O-propan-2-yl oxalate
CID 166723292
dilithium;2-(2-methylprop-2-enoyloxy)ethyl phosphate
CID 122611995
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
carbanylium;bis(methyl-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphinate);dihydroxide
CID 160914633
2-methylprop-2-enoyloxymethyl(propan-2-yloxy)phosphinic acid
CID 123217375
2-[hydroxy(prop-2-enoxy)phosphoryl]oxyethyl 2-methylprop-2-enoate
CID 88502358
dihydroxy(oxo)phosphanium;2-phosphonooxyethyl 2-methylprop-2-enoate
CID 175310560
2-(2-methylprop-2-enoyloxy)ethyl 3-chloro-2-methylpropanoate
CID 169323749
(6-diethoxyphosphoryl-6-diethoxyphosphoryloxyhexyl) 2-methylprop-2-enoate
CID 130472586
magnesium bis(bis[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl] phosphate)
CID 122612579

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl(propan-2-yloxy)phosphoryl]oxyethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[propan-2-yl(propan-2-yloxy)phosphoryl]oxyethyl 2-methylprop-2-enoate (CID 175590056) is 2-[propan-2-yl(propan-2-yloxy)phosphoryl]oxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[propan-2-yl(propan-2-yloxy)phosphoryl]oxyethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[propan-2-yl(propan-2-yloxy)phosphoryl]oxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOP(=O)(OC(C)C)C(C)C.
What is the InChIKey of 2-[propan-2-yl(propan-2-yloxy)phosphoryl]oxyethyl 2-methylprop-2-enoate?
The InChIKey is KFJTURPPEIQFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23O5P/c1-9(2)12(13)15-7-8-16-18(14,11(5)6)17-10(3)4/h10-11H,1,7-8H2,2-6H3.
What are the key properties of 2-[propan-2-yl(propan-2-yloxy)phosphoryl]oxyethyl 2-methylprop-2-enoate?
2-[propan-2-yl(propan-2-yloxy)phosphoryl]oxyethyl 2-methylprop-2-enoate has a molecular weight of 278.29 g/mol, XLogP of 3.15, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl(propan-2-yloxy)phosphoryl]oxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 175590056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).