ethyl methyl [(2S)-2,4,5-trimethyloxolan-3-yl] phosphate;methane

C12H29O5P — CID 158595282

IUPACethyl methyl [(2S)-2,4,5-trimethyloxolan-3-yl] phosphate;methane
SMILESC.C.CCOP(=O)(OC)OC1C(C)C(C)O[C@H]1C
InChIInChI=1S/C10H21O5P.2CH4/c1-6-13-16(11,12-5)15-10-7(2)8(3)14-9(10)4;;/h7-10H,6H2,1-5H3;2*1H4/t7?,8?,9-,10?,16?;;/m0../s1
InChIKeyHUYJZGZLGGBMAZ-LLJGPMMVSA-N
MW284.33 g/mol
LogP3.88
Rot. Bonds5

About ethyl methyl [(2S)-2,4,5-trimethyloxolan-3-yl] phosphate;methane

ethyl methyl [(2S)-2,4,5-trimethyloxolan-3-yl] phosphate;methane (PubChem CID 158595282) has the molecular formula C12H29O5P and a molecular weight of 284.33 g/mol. Its IUPAC name is ethyl methyl [(2S)-2,4,5-trimethyloxolan-3-yl] phosphate;methane.

Molecular Properties

Compound Nameethyl methyl [(2S)-2,4,5-trimethyloxolan-3-yl] phosphate;methane
PubChem CID158595282
Molecular FormulaC12H29O5P
Molecular Weight284.33 g/mol
Exact Mass284.18
IUPAC Nameethyl methyl [(2S)-2,4,5-trimethyloxolan-3-yl] phosphate;methane
SMILESC.C.CCOP(=O)(OC)OC1C(C)C(C)O[C@H]1C
InChIInChI=1S/C10H21O5P.2CH4/c1-6-13-16(11,12-5)15-10-7(2)8(3)14-9(10)4;;/h7-10H,6H2,1-5H3;2*1H4/t7?,8?,9-,10?,16?;;/m0../s1
InChIKeyHUYJZGZLGGBMAZ-LLJGPMMVSA-N
XLogP3.88
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl methyl [(2S)-2,4,5-trimethyloxolan-3-yl] phosphate;methane?
The IUPAC name of ethyl methyl [(2S)-2,4,5-trimethyloxolan-3-yl] phosphate;methane (CID 158595282) is ethyl methyl [(2S)-2,4,5-trimethyloxolan-3-yl] phosphate;methane.
What is the SMILES notation for ethyl methyl [(2S)-2,4,5-trimethyloxolan-3-yl] phosphate;methane?
The canonical SMILES for ethyl methyl [(2S)-2,4,5-trimethyloxolan-3-yl] phosphate;methane is C.C.CCOP(=O)(OC)OC1C(C)C(C)O[C@H]1C.
What is the InChIKey of ethyl methyl [(2S)-2,4,5-trimethyloxolan-3-yl] phosphate;methane?
The InChIKey is HUYJZGZLGGBMAZ-LLJGPMMVSA-N. The full InChI is InChI=1S/C10H21O5P.2CH4/c1-6-13-16(11,12-5)15-10-7(2)8(3)14-9(10)4;;/h7-10H,6H2,1-5H3;2*1H4/t7?,8?,9-,10?,16?;;/m0../s1.
What are the key properties of ethyl methyl [(2S)-2,4,5-trimethyloxolan-3-yl] phosphate;methane?
ethyl methyl [(2S)-2,4,5-trimethyloxolan-3-yl] phosphate;methane has a molecular weight of 284.33 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl methyl [(2S)-2,4,5-trimethyloxolan-3-yl] phosphate;methane is sourced from PubChem (CID 158595282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).