[1-(2-methylprop-2-enoyloxy)-1-phosphonooxyhexyl] 2-methylprop-2-enoate

C14H23O8P — CID 88595404

IUPAC[1-(2-methylprop-2-enoyloxy)-1-phosphonooxyhexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CCCCC)(OC(=O)C(=C)C)OP(=O)(O)O
InChIInChI=1S/C14H23O8P/c1-6-7-8-9-14(22-23(17,18)19,20-12(15)10(2)3)21-13(16)11(4)5/h2,4,6-9H2,1,3,5H3,(H2,17,18,19)
InChIKeyBISXETBHALTQGQ-UHFFFAOYSA-N
MW350.30 g/mol
LogP2.57
Rot. Bonds10

About [1-(2-methylprop-2-enoyloxy)-1-phosphonooxyhexyl] 2-methylprop-2-enoate

[1-(2-methylprop-2-enoyloxy)-1-phosphonooxyhexyl] 2-methylprop-2-enoate (PubChem CID 88595404) has the molecular formula C14H23O8P and a molecular weight of 350.30 g/mol. Its IUPAC name is [1-(2-methylprop-2-enoyloxy)-1-phosphonooxyhexyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[1-(2-methylprop-2-enoyloxy)-1-phosphonooxyhexyl] 2-methylprop-2-enoate
PubChem CID88595404
Molecular FormulaC14H23O8P
Molecular Weight350.30 g/mol
Exact Mass350.11
IUPAC Name[1-(2-methylprop-2-enoyloxy)-1-phosphonooxyhexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CCCCC)(OC(=O)C(=C)C)OP(=O)(O)O
InChIInChI=1S/C14H23O8P/c1-6-7-8-9-14(22-23(17,18)19,20-12(15)10(2)3)21-13(16)11(4)5/h2,4,6-9H2,1,3,5H3,(H2,17,18,19)
InChIKeyBISXETBHALTQGQ-UHFFFAOYSA-N
XLogP2.57
TPSA119.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Analyze [1-(2-methylprop-2-enoyloxy)-1-phosphonooxyhexyl] 2-methylprop-2-enoate with MolForge

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Related Compounds

2-methyltriacontan-2-yl 2-methylprop-2-enoate
CID 21364873
4-propylundecan-4-yl 2-methylprop-2-enoate
CID 164546631
11-fluorodocosan-11-yl 2-methylprop-2-enoate
CID 88638006
[4-hydroxy-1,1-bis(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 87402298
5-methylnonan-5-yl 2-methylprop-2-enoate
CID 139896561
(3-hydroxy-2-oxohenicosan-3-yl) dihydrogen phosphate
CID 21125713
[1-(2-methylprop-2-enoyloxy)-1-(4-phenylphenoxy)nonyl] 2-methylprop-2-enoate
CID 142725494
dodecyl(2-methylprop-2-enoyloxymethyl)phosphinic acid
CID 139843859
5-hydroxytridecan-5-yl dihydrogen phosphate
CID 141376782
4-ethyloctan-4-yl 2-methylprop-2-enoate
CID 89044828
3-(phosphonooxymethyl)pentan-3-yl 2-methylprop-2-enoate
CID 87476353
4-(2-methylprop-2-enoyloxy)butyl-octadecylphosphinic acid
CID 139843904

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylprop-2-enoyloxy)-1-phosphonooxyhexyl] 2-methylprop-2-enoate?
The IUPAC name of [1-(2-methylprop-2-enoyloxy)-1-phosphonooxyhexyl] 2-methylprop-2-enoate (CID 88595404) is [1-(2-methylprop-2-enoyloxy)-1-phosphonooxyhexyl] 2-methylprop-2-enoate.
What is the SMILES notation for [1-(2-methylprop-2-enoyloxy)-1-phosphonooxyhexyl] 2-methylprop-2-enoate?
The canonical SMILES for [1-(2-methylprop-2-enoyloxy)-1-phosphonooxyhexyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(CCCCC)(OC(=O)C(=C)C)OP(=O)(O)O.
What is the InChIKey of [1-(2-methylprop-2-enoyloxy)-1-phosphonooxyhexyl] 2-methylprop-2-enoate?
The InChIKey is BISXETBHALTQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23O8P/c1-6-7-8-9-14(22-23(17,18)19,20-12(15)10(2)3)21-13(16)11(4)5/h2,4,6-9H2,1,3,5H3,(H2,17,18,19).
What are the key properties of [1-(2-methylprop-2-enoyloxy)-1-phosphonooxyhexyl] 2-methylprop-2-enoate?
[1-(2-methylprop-2-enoyloxy)-1-phosphonooxyhexyl] 2-methylprop-2-enoate has a molecular weight of 350.30 g/mol, XLogP of 2.57, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylprop-2-enoyloxy)-1-phosphonooxyhexyl] 2-methylprop-2-enoate is sourced from PubChem (CID 88595404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).