ethyl methyl phosphate;ethyl sulfite;methane

C9H29O7PS-2 — CID 158276918

IUPACethyl methyl phosphate;ethyl sulfite;methane
SMILESC.C.C.C.CCOP(=O)([O-])OC.CCOS(=O)[O-]
InChIInChI=1S/C3H9O4P.C2H6O3S.4CH4/c1-3-7-8(4,5)6-2;1-2-5-6(3)4;;;;/h3H2,1-2H3,(H,4,5);2H2,1H3,(H,3,4);4*1H4/p-2
InChIKeyGJSIGKUVHIPFCU-UHFFFAOYSA-L
MW312.36 g/mol
LogP2.50
Rot. Bonds5

About ethyl methyl phosphate;ethyl sulfite;methane

ethyl methyl phosphate;ethyl sulfite;methane (PubChem CID 158276918) has the molecular formula C9H29O7PS-2 and a molecular weight of 312.36 g/mol. Its IUPAC name is ethyl methyl phosphate;ethyl sulfite;methane.

Molecular Properties

Compound Nameethyl methyl phosphate;ethyl sulfite;methane
PubChem CID158276918
Molecular FormulaC9H29O7PS-2
Molecular Weight312.36 g/mol
Exact Mass312.14
IUPAC Nameethyl methyl phosphate;ethyl sulfite;methane
SMILESC.C.C.C.CCOP(=O)([O-])OC.CCOS(=O)[O-]
InChIInChI=1S/C3H9O4P.C2H6O3S.4CH4/c1-3-7-8(4,5)6-2;1-2-5-6(3)4;;;;/h3H2,1-2H3,(H,4,5);2H2,1H3,(H,3,4);4*1H4/p-2
InChIKeyGJSIGKUVHIPFCU-UHFFFAOYSA-L
XLogP2.50
TPSA107.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

sodium ethyl methyl phosphate
CID 134607083
disodium bis(diethyl phosphate)
CID 57370561
copper bis(diethyl phosphate)
CID 23448356
aminomethyl methyl phosphate
CID 123377325
ethyl methyl phosphate;tetrapentylphosphanium
CID 89312416
ethyl hydroxymethyl phosphate
CID 153073426
tetrasodium ethyl phosphate
CID 141178132
disodium;ethyl phosphate
CID 11970393
1-ethyl-3-methylimidazol-3-ium;ethyl methyl phosphate
CID 175197443
ethoxysulfinyl sulfite
CID 148546254
2-methoxyethyl sulfite
CID 54514151
heptyl methyl phosphate
CID 22497569

Frequently Asked Questions

What is the IUPAC name of ethyl methyl phosphate;ethyl sulfite;methane?
The IUPAC name of ethyl methyl phosphate;ethyl sulfite;methane (CID 158276918) is ethyl methyl phosphate;ethyl sulfite;methane.
What is the SMILES notation for ethyl methyl phosphate;ethyl sulfite;methane?
The canonical SMILES for ethyl methyl phosphate;ethyl sulfite;methane is C.C.C.C.CCOP(=O)([O-])OC.CCOS(=O)[O-].
What is the InChIKey of ethyl methyl phosphate;ethyl sulfite;methane?
The InChIKey is GJSIGKUVHIPFCU-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H9O4P.C2H6O3S.4CH4/c1-3-7-8(4,5)6-2;1-2-5-6(3)4;;;;/h3H2,1-2H3,(H,4,5);2H2,1H3,(H,3,4);4*1H4/p-2.
What are the key properties of ethyl methyl phosphate;ethyl sulfite;methane?
ethyl methyl phosphate;ethyl sulfite;methane has a molecular weight of 312.36 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl methyl phosphate;ethyl sulfite;methane is sourced from PubChem (CID 158276918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).