1-[bis[2-(2-methylprop-2-enoyloxy)propoxy]phosphanyloxy]propan-2-yl 2-methylprop-2-enoate

C21H33O9P — CID 139653960

IUPAC1-[bis[2-(2-methylprop-2-enoyloxy)propoxy]phosphanyloxy]propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)COP(OCC(C)OC(=O)C(=C)C)OCC(C)OC(=O)C(=C)C
InChIInChI=1S/C21H33O9P/c1-13(2)19(22)28-16(7)10-25-31(26-11-17(8)29-20(23)14(3)4)27-12-18(9)30-21(24)15(5)6/h16-18H,1,3,5,10-12H2,2,4,6-9H3
InChIKeyYREPWYGKFUCMCK-UHFFFAOYSA-N
MW460.46 g/mol
LogP3.79
Rot. Bonds15

About 1-[bis[2-(2-methylprop-2-enoyloxy)propoxy]phosphanyloxy]propan-2-yl 2-methylprop-2-enoate

1-[bis[2-(2-methylprop-2-enoyloxy)propoxy]phosphanyloxy]propan-2-yl 2-methylprop-2-enoate (PubChem CID 139653960) has the molecular formula C21H33O9P and a molecular weight of 460.46 g/mol. Its IUPAC name is 1-[bis[2-(2-methylprop-2-enoyloxy)propoxy]phosphanyloxy]propan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-[bis[2-(2-methylprop-2-enoyloxy)propoxy]phosphanyloxy]propan-2-yl 2-methylprop-2-enoate
PubChem CID139653960
Molecular FormulaC21H33O9P
Molecular Weight460.46 g/mol
Exact Mass460.19
IUPAC Name1-[bis[2-(2-methylprop-2-enoyloxy)propoxy]phosphanyloxy]propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)COP(OCC(C)OC(=O)C(=C)C)OCC(C)OC(=O)C(=C)C
InChIInChI=1S/C21H33O9P/c1-13(2)19(22)28-16(7)10-25-31(26-11-17(8)29-20(23)14(3)4)27-12-18(9)30-21(24)15(5)6/h16-18H,1,3,5,10-12H2,2,4,6-9H3
InChIKeyYREPWYGKFUCMCK-UHFFFAOYSA-N
XLogP3.79
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-methylprop-2-enoyloxy)propoxyperoxy]propan-2-yl 2-methylprop-2-enoate
CID 90187084
[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166
2-(2-methylprop-2-enoyloxy)propoxyazanium chloride
CID 19386098
1-[1-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate
CID 56999639
1-[1-[1-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate
CID 22918055
1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate
CID 19734689
2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2-methylprop-2-enoate
CID 18762108
bis(ethane-1,2-diol);ethene;2-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate
CID 173326702
trihydroxy-[2-(2-methylprop-2-enoyloxy)propyl]phosphanium
CID 154142538
propan-2-yl 2-methylprop-2-enoate
CID 146421311
1-(disulfanyl)propan-2-yl 2-methylprop-2-enoate
CID 174221047
[2-methyl-4-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate
CID 19428958

Frequently Asked Questions

What is the IUPAC name of 1-[bis[2-(2-methylprop-2-enoyloxy)propoxy]phosphanyloxy]propan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 1-[bis[2-(2-methylprop-2-enoyloxy)propoxy]phosphanyloxy]propan-2-yl 2-methylprop-2-enoate (CID 139653960) is 1-[bis[2-(2-methylprop-2-enoyloxy)propoxy]phosphanyloxy]propan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 1-[bis[2-(2-methylprop-2-enoyloxy)propoxy]phosphanyloxy]propan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 1-[bis[2-(2-methylprop-2-enoyloxy)propoxy]phosphanyloxy]propan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)COP(OCC(C)OC(=O)C(=C)C)OCC(C)OC(=O)C(=C)C.
What is the InChIKey of 1-[bis[2-(2-methylprop-2-enoyloxy)propoxy]phosphanyloxy]propan-2-yl 2-methylprop-2-enoate?
The InChIKey is YREPWYGKFUCMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33O9P/c1-13(2)19(22)28-16(7)10-25-31(26-11-17(8)29-20(23)14(3)4)27-12-18(9)30-21(24)15(5)6/h16-18H,1,3,5,10-12H2,2,4,6-9H3.
What are the key properties of 1-[bis[2-(2-methylprop-2-enoyloxy)propoxy]phosphanyloxy]propan-2-yl 2-methylprop-2-enoate?
1-[bis[2-(2-methylprop-2-enoyloxy)propoxy]phosphanyloxy]propan-2-yl 2-methylprop-2-enoate has a molecular weight of 460.46 g/mol, XLogP of 3.79, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis[2-(2-methylprop-2-enoyloxy)propoxy]phosphanyloxy]propan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 139653960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).