methyl-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]ethyl]phosphinic acid

C9H17O4PS — CID 158708076

IUPACmethyl-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]ethyl]phosphinic acid
SMILESC=C(C)C(=O)OCCSCCP(C)(=O)O
InChIInChI=1S/C9H17O4PS/c1-8(2)9(10)13-4-6-15-7-5-14(3,11)12/h1,4-7H2,2-3H3,(H,11,12)
InChIKeyRSOMQAVNEOBNMG-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.74
Rot. Bonds7

About methyl-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]ethyl]phosphinic acid

methyl-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]ethyl]phosphinic acid (PubChem CID 158708076) has the molecular formula C9H17O4PS and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]ethyl]phosphinic acid.

Molecular Properties

Compound Namemethyl-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]ethyl]phosphinic acid
PubChem CID158708076
Molecular FormulaC9H17O4PS
Molecular Weight252.27 g/mol
Exact Mass252.06
IUPAC Namemethyl-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]ethyl]phosphinic acid
SMILESC=C(C)C(=O)OCCSCCP(C)(=O)O
InChIInChI=1S/C9H17O4PS/c1-8(2)9(10)13-4-6-15-7-5-14(3,11)12/h1,4-7H2,2-3H3,(H,11,12)
InChIKeyRSOMQAVNEOBNMG-UHFFFAOYSA-N
XLogP1.74
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethyl 2-methylprop-2-enoate
CID 10156538
methyl-[2-(2-methylprop-2-enoyloxy)ethyl]phosphinic acid
CID 130373144
methyl-[4-(2-methylprop-2-enoyloxy)butyl]phosphinic acid
CID 139843889
2-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanylmethyl]prop-2-enylsulfanyl]ethyl 2-methylprop-2-enoate
CID 88557107
3-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate;phosphoric acid
CID 87531056
2-dimethylphosphoryloxyethyl 2-methylprop-2-enoate
CID 54281312
2-aminoethyl 2-methylprop-2-enoate;phosphoric acid
CID 86256248
bis[4-(2-methylprop-2-enoyloxy)butyl]phosphinic acid
CID 87234792
dilithium;2-(2-methylprop-2-enoyloxy)ethyl phosphate
CID 122611995
6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate;2-(2-prop-2-enoyloxyethylsulfanyl)ethyl prop-2-enoate
CID 158479065
sodium 2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl hydrogen phosphate
CID 122613092
2-bromoethyl-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphinic acid
CID 175167107

Frequently Asked Questions

What is the IUPAC name of methyl-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]ethyl]phosphinic acid?
The IUPAC name of methyl-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]ethyl]phosphinic acid (CID 158708076) is methyl-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]ethyl]phosphinic acid.
What is the SMILES notation for methyl-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]ethyl]phosphinic acid?
The canonical SMILES for methyl-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]ethyl]phosphinic acid is C=C(C)C(=O)OCCSCCP(C)(=O)O.
What is the InChIKey of methyl-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]ethyl]phosphinic acid?
The InChIKey is RSOMQAVNEOBNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O4PS/c1-8(2)9(10)13-4-6-15-7-5-14(3,11)12/h1,4-7H2,2-3H3,(H,11,12).
What are the key properties of methyl-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]ethyl]phosphinic acid?
methyl-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]ethyl]phosphinic acid has a molecular weight of 252.27 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]ethyl]phosphinic acid is sourced from PubChem (CID 158708076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).