2-[2-[(1S)-1-hydroxy-2-methylprop-2-enoxy]ethoxy-[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxy]phosphoryl]oxyethyl 2-methylprop-2-enoate

C18H31O10P — CID 59266096

IUPAC2-[2-[(1S)-1-hydroxy-2-methylprop-2-enoxy]ethoxy-[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxy]phosphoryl]oxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOP(=O)(OCCOC(O)C(=C)C)OCCO[C@H](O)C(=C)C
InChIInChI=1S/C18H31O10P/c1-13(2)16(19)23-7-10-26-29(22,27-11-8-24-17(20)14(3)4)28-12-9-25-18(21)15(5)6/h16-17,19-20H,1,3,5,7-12H2,2,4,6H3/t16-,17?,29?/m0/s1
InChIKeyFEOQHZFIUBMAJJ-ZFDMOAPGSA-N
MW438.41 g/mol
LogP2.09
Rot. Bonds17

About 2-[2-[(1S)-1-hydroxy-2-methylprop-2-enoxy]ethoxy-[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxy]phosphoryl]oxyethyl 2-methylprop-2-enoate

2-[2-[(1S)-1-hydroxy-2-methylprop-2-enoxy]ethoxy-[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxy]phosphoryl]oxyethyl 2-methylprop-2-enoate (PubChem CID 59266096) has the molecular formula C18H31O10P and a molecular weight of 438.41 g/mol. Its IUPAC name is 2-[2-[(1S)-1-hydroxy-2-methylprop-2-enoxy]ethoxy-[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxy]phosphoryl]oxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-[(1S)-1-hydroxy-2-methylprop-2-enoxy]ethoxy-[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxy]phosphoryl]oxyethyl 2-methylprop-2-enoate
PubChem CID59266096
Molecular FormulaC18H31O10P
Molecular Weight438.41 g/mol
Exact Mass438.17
IUPAC Name2-[2-[(1S)-1-hydroxy-2-methylprop-2-enoxy]ethoxy-[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxy]phosphoryl]oxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOP(=O)(OCCOC(O)C(=C)C)OCCO[C@H](O)C(=C)C
InChIInChI=1S/C18H31O10P/c1-13(2)16(19)23-7-10-26-29(22,27-11-8-24-17(20)14(3)4)28-12-9-25-18(21)15(5)6/h16-17,19-20H,1,3,5,7-12H2,2,4,6H3/t16-,17?,29?/m0/s1
InChIKeyFEOQHZFIUBMAJJ-ZFDMOAPGSA-N
XLogP2.09
TPSA129.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-[bis(2-ethylhexoxy)phosphoryloxy]ethyl 2-methylprop-2-enoate
CID 139937953
2-[bis[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryloxy-hydroxyphosphoryl]oxyethyl 2-methylprop-2-enoate
CID 87608005
2-hydroxyethyl 2-(1-hydroxy-2-methylprop-2-enoxy)ethyl 2-(1-hydroxyprop-2-enoxy)ethyl phosphate
CID 155216402
1-[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxy]-2-methylprop-2-en-1-ol
CID 15787829
2-dichlorophosphoryloxyethyl 2-methylprop-2-enoate
CID 13363024
dilithium;2-(2-methylprop-2-enoyloxy)ethyl phosphate
CID 122611995
2-[bis[2-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]ethoxy]phosphoryloxy]ethyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 139511941
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-[hydroxy(prop-2-enoxy)phosphoryl]oxyethyl 2-methylprop-2-enoate
CID 88502358
dihydroxy(oxo)phosphanium;2-phosphonooxyethyl 2-methylprop-2-enoate
CID 175310560

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1S)-1-hydroxy-2-methylprop-2-enoxy]ethoxy-[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxy]phosphoryl]oxyethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-[(1S)-1-hydroxy-2-methylprop-2-enoxy]ethoxy-[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxy]phosphoryl]oxyethyl 2-methylprop-2-enoate (CID 59266096) is 2-[2-[(1S)-1-hydroxy-2-methylprop-2-enoxy]ethoxy-[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxy]phosphoryl]oxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-[(1S)-1-hydroxy-2-methylprop-2-enoxy]ethoxy-[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxy]phosphoryl]oxyethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-[(1S)-1-hydroxy-2-methylprop-2-enoxy]ethoxy-[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxy]phosphoryl]oxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOP(=O)(OCCOC(O)C(=C)C)OCCO[C@H](O)C(=C)C.
What is the InChIKey of 2-[2-[(1S)-1-hydroxy-2-methylprop-2-enoxy]ethoxy-[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxy]phosphoryl]oxyethyl 2-methylprop-2-enoate?
The InChIKey is FEOQHZFIUBMAJJ-ZFDMOAPGSA-N. The full InChI is InChI=1S/C18H31O10P/c1-13(2)16(19)23-7-10-26-29(22,27-11-8-24-17(20)14(3)4)28-12-9-25-18(21)15(5)6/h16-17,19-20H,1,3,5,7-12H2,2,4,6H3/t16-,17?,29?/m0/s1.
What are the key properties of 2-[2-[(1S)-1-hydroxy-2-methylprop-2-enoxy]ethoxy-[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxy]phosphoryl]oxyethyl 2-methylprop-2-enoate?
2-[2-[(1S)-1-hydroxy-2-methylprop-2-enoxy]ethoxy-[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxy]phosphoryl]oxyethyl 2-methylprop-2-enoate has a molecular weight of 438.41 g/mol, XLogP of 2.09, 17 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1S)-1-hydroxy-2-methylprop-2-enoxy]ethoxy-[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxy]phosphoryl]oxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 59266096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).