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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Related Compounds

cyclohexyl ethyl methyl phosphate
CID 66729683
[(2S,3S,4R,5R,6S)-4,5-diacetyloxy-6-diethoxyphosphoryloxy-2-methyloxan-3-yl] acetate
CID 10410187
(2S,3R)-2-diethoxyphosphoryl-3-methyloxirane
CID 163038717
diethyl [methoxy(methyl)phosphoryl] phosphate
CID 162624062
ethyl methyl 2,2,2-trifluoroethyl phosphate
CID 87424600
ethyl dihydrogen phosphate;trimethyl phosphate
CID 160912301
1-[fluoromethyl(methoxy)phosphoryl]oxyethane
CID 13426238
diethyl (2-methyl-1,3-dioxolan-4-yl)methyl phosphate
CID 11972014
(2S,3S,5S,6R)-4-ethoxy-3,5-dimethoxy-2,6-dimethyloxane
CID 163737733
cyclopenta-1,4-dien-1-ylmethyl (2,4,5-trimethyloxolan-3-yl) hydrogen phosphate
CID 22986564
benzyl ethyl methyl phosphate
CID 152677778
2-[ethoxy(ethyl)phosphoryl]oxyoxirane
CID 57290698

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).