[methoxycarbonyloxymethoxy(propan-2-yloxy)phosphoryl]oxymethyl methyl carbonate

C9H17O10P — CID 122697840

IUPAC[methoxycarbonyloxymethoxy(propan-2-yloxy)phosphoryl]oxymethyl methyl carbonate
SMILESCOC(=O)OCOP(=O)(OCOC(=O)OC)OC(C)C
InChIInChI=1S/C9H17O10P/c1-7(2)19-20(12,17-5-15-8(10)13-3)18-6-16-9(11)14-4/h7H,5-6H2,1-4H3
InChIKeyLQGCDKSCAVNTJI-UHFFFAOYSA-N
MW316.20 g/mol
LogP2.03
Rot. Bonds8

About [methoxycarbonyloxymethoxy(propan-2-yloxy)phosphoryl]oxymethyl methyl carbonate

[methoxycarbonyloxymethoxy(propan-2-yloxy)phosphoryl]oxymethyl methyl carbonate (PubChem CID 122697840) has the molecular formula C9H17O10P and a molecular weight of 316.20 g/mol. Its IUPAC name is [methoxycarbonyloxymethoxy(propan-2-yloxy)phosphoryl]oxymethyl methyl carbonate.

Molecular Properties

Compound Name[methoxycarbonyloxymethoxy(propan-2-yloxy)phosphoryl]oxymethyl methyl carbonate
PubChem CID122697840
Molecular FormulaC9H17O10P
Molecular Weight316.20 g/mol
Exact Mass316.06
IUPAC Name[methoxycarbonyloxymethoxy(propan-2-yloxy)phosphoryl]oxymethyl methyl carbonate
SMILESCOC(=O)OCOP(=O)(OCOC(=O)OC)OC(C)C
InChIInChI=1S/C9H17O10P/c1-7(2)19-20(12,17-5-15-8(10)13-3)18-6-16-9(11)14-4/h7H,5-6H2,1-4H3
InChIKeyLQGCDKSCAVNTJI-UHFFFAOYSA-N
XLogP2.03
TPSA115.82 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

butan-2-yl dipropan-2-yl phosphate
CID 71379379
methyl (2S)-2-di(propan-2-yloxy)phosphoryloxy-3,3,3-trifluoropropanoate
CID 7021217
iodooxymethyl methyl carbonate
CID 90378493
methyl pentan-3-yloxymethyl carbonate
CID 89015667
[carboxyoxymethoxy(methoxy)phosphoryl]oxymethyl hydrogen carbonate
CID 170246060
methane;methyl dipropan-2-yl phosphate
CID 158565801
2-methylpropyl dipropan-2-yl phosphate
CID 10728615
iodomethyl dipropan-2-yl phosphate
CID 150487701
propan-2-yl bis(prop-2-ynyl) phosphate
CID 23470653
[methyl(propan-2-yloxy)phosphoryl]formohydrazide
CID 11864188
[ethoxy(ethyl)phosphoryl]oxymethyl propan-2-yl carbonate
CID 129169212
6-acetamidohexyl methyl propan-2-yl phosphate;ethane;molecular hydrogen
CID 168888477

Frequently Asked Questions

What is the IUPAC name of [methoxycarbonyloxymethoxy(propan-2-yloxy)phosphoryl]oxymethyl methyl carbonate?
The IUPAC name of [methoxycarbonyloxymethoxy(propan-2-yloxy)phosphoryl]oxymethyl methyl carbonate (CID 122697840) is [methoxycarbonyloxymethoxy(propan-2-yloxy)phosphoryl]oxymethyl methyl carbonate.
What is the SMILES notation for [methoxycarbonyloxymethoxy(propan-2-yloxy)phosphoryl]oxymethyl methyl carbonate?
The canonical SMILES for [methoxycarbonyloxymethoxy(propan-2-yloxy)phosphoryl]oxymethyl methyl carbonate is COC(=O)OCOP(=O)(OCOC(=O)OC)OC(C)C.
What is the InChIKey of [methoxycarbonyloxymethoxy(propan-2-yloxy)phosphoryl]oxymethyl methyl carbonate?
The InChIKey is LQGCDKSCAVNTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O10P/c1-7(2)19-20(12,17-5-15-8(10)13-3)18-6-16-9(11)14-4/h7H,5-6H2,1-4H3.
What are the key properties of [methoxycarbonyloxymethoxy(propan-2-yloxy)phosphoryl]oxymethyl methyl carbonate?
[methoxycarbonyloxymethoxy(propan-2-yloxy)phosphoryl]oxymethyl methyl carbonate has a molecular weight of 316.20 g/mol, XLogP of 2.03, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [methoxycarbonyloxymethoxy(propan-2-yloxy)phosphoryl]oxymethyl methyl carbonate is sourced from PubChem (CID 122697840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).