2-hydroxyethyl 2-methyl-3-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)prop-2-enoate

C9H15O6P — CID 175502794

IUPAC2-hydroxyethyl 2-methyl-3-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)prop-2-enoate
SMILESCC(=CP1(=O)OCCCO1)C(=O)OCCO
InChIInChI=1S/C9H15O6P/c1-8(9(11)13-6-3-10)7-16(12)14-4-2-5-15-16/h7,10H,2-6H2,1H3
InChIKeyXGDOSCQWFQSARZ-UHFFFAOYSA-N
MW250.19 g/mol
LogP1.06
Rot. Bonds4

About 2-hydroxyethyl 2-methyl-3-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)prop-2-enoate

2-hydroxyethyl 2-methyl-3-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)prop-2-enoate (PubChem CID 175502794) has the molecular formula C9H15O6P and a molecular weight of 250.19 g/mol. Its IUPAC name is 2-hydroxyethyl 2-methyl-3-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)prop-2-enoate.

Molecular Properties

Compound Name2-hydroxyethyl 2-methyl-3-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)prop-2-enoate
PubChem CID175502794
Molecular FormulaC9H15O6P
Molecular Weight250.19 g/mol
Exact Mass250.06
IUPAC Name2-hydroxyethyl 2-methyl-3-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)prop-2-enoate
SMILESCC(=CP1(=O)OCCCO1)C(=O)OCCO
InChIInChI=1S/C9H15O6P/c1-8(9(11)13-6-3-10)7-16(12)14-4-2-5-15-16/h7,10H,2-6H2,1H3
InChIKeyXGDOSCQWFQSARZ-UHFFFAOYSA-N
XLogP1.06
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyethyl 2-methyl-3-(oxiran-2-yl)prop-2-enoate
CID 90892829
2-hydroxyethyl 2-methylpent-2-enoate
CID 137318053
2-hydroxyethyl 3-ethoxy-2-methylprop-2-enoate
CID 173011903
1-O-(4-hydroxybutyl) 6-O-(2-hydroxyethyl) (2E,4E)-2,5-dimethylhexa-2,4-dienedioate
CID 178064848
1-O-(2-hydroxyethyl) 4-O-prop-2-enoyl (Z)-2-methylbut-2-enedioate
CID 174472902
2-hydroxyethyl 2-methylhexa-2,5-dienoate
CID 57086729
2-hydroxyethyl 3-oxo-2-propan-2-ylidenepent-4-enoate
CID 87410832
2-hydroxyethyl 2-methylprop-2-enoate;2-methyl-4-(oxiran-2-yl)but-2-enamide
CID 173160147
2-hydroxyethyl 2-methylhept-2-enoate
CID 154084583
2-hydroxyethyl 2,3-dimethylpenta-2,4-dienoate
CID 175185159
2-hydroxyethyl 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluoro-2-methyltridec-2-enoate
CID 175231805
2-hydroxyethyl 5-hydroxy-2-methylhept-2-enoate
CID 57211942

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-methyl-3-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)prop-2-enoate?
The IUPAC name of 2-hydroxyethyl 2-methyl-3-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)prop-2-enoate (CID 175502794) is 2-hydroxyethyl 2-methyl-3-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)prop-2-enoate.
What is the SMILES notation for 2-hydroxyethyl 2-methyl-3-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)prop-2-enoate?
The canonical SMILES for 2-hydroxyethyl 2-methyl-3-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)prop-2-enoate is CC(=CP1(=O)OCCCO1)C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl 2-methyl-3-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)prop-2-enoate?
The InChIKey is XGDOSCQWFQSARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15O6P/c1-8(9(11)13-6-3-10)7-16(12)14-4-2-5-15-16/h7,10H,2-6H2,1H3.
What are the key properties of 2-hydroxyethyl 2-methyl-3-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)prop-2-enoate?
2-hydroxyethyl 2-methyl-3-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)prop-2-enoate has a molecular weight of 250.19 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-methyl-3-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)prop-2-enoate is sourced from PubChem (CID 175502794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).