methyl 3-propan-2-yloxypropyl hydrogen phosphate

C7H17O5P — CID 89017051

IUPACmethyl 3-propan-2-yloxypropyl hydrogen phosphate
SMILESCOP(=O)(O)OCCCOC(C)C
InChIInChI=1S/C7H17O5P/c1-7(2)11-5-4-6-12-13(8,9)10-3/h7H,4-6H2,1-3H3,(H,8,9)
InChIKeyLMECDBRDIXUOGY-UHFFFAOYSA-N
MW212.18 g/mol
LogP1.56
Rot. Bonds7

About methyl 3-propan-2-yloxypropyl hydrogen phosphate

methyl 3-propan-2-yloxypropyl hydrogen phosphate (PubChem CID 89017051) has the molecular formula C7H17O5P and a molecular weight of 212.18 g/mol. Its IUPAC name is methyl 3-propan-2-yloxypropyl hydrogen phosphate.

Molecular Properties

Compound Namemethyl 3-propan-2-yloxypropyl hydrogen phosphate
PubChem CID89017051
Molecular FormulaC7H17O5P
Molecular Weight212.18 g/mol
Exact Mass212.08
IUPAC Namemethyl 3-propan-2-yloxypropyl hydrogen phosphate
SMILESCOP(=O)(O)OCCCOC(C)C
InChIInChI=1S/C7H17O5P/c1-7(2)11-5-4-6-12-13(8,9)10-3/h7H,4-6H2,1-3H3,(H,8,9)
InChIKeyLMECDBRDIXUOGY-UHFFFAOYSA-N
XLogP1.56
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.18
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 9-propan-2-yloxynonyl hydrogen phosphate
CID 90328876
methyl 6-methylheptyl hydrogen phosphate
CID 174422400
methyl octyl hydrogen phosphate
CID 13032455
methyl pentadecyl hydrogen phosphate
CID 175295583
azane;methyl octyl hydrogen phosphate
CID 175087561
(4-amino-4-oxobutyl) methyl hydrogen phosphate
CID 89393269
3-[hydroxy(methoxy)phosphoryl]oxypropyl-trimethylazanium
CID 170122908
5,6-dihydroxyhexyl methyl hydrogen phosphate
CID 21059323
propan-2-yl 2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl hydrogen phosphate
CID 168833294
2-(2-methoxyethoxy)ethyl methyl hydrogen phosphate
CID 58743767
tert-butyl 2-[hydroxy-[2-[hydroxy(methoxy)phosphoryl]oxyethoxy]phosphoryl]oxyethyl hydrogen phosphate
CID 157111782
methyl(9-propan-2-yloxynonoxy)phosphinate
CID 140649325

Frequently Asked Questions

What is the IUPAC name of methyl 3-propan-2-yloxypropyl hydrogen phosphate?
The IUPAC name of methyl 3-propan-2-yloxypropyl hydrogen phosphate (CID 89017051) is methyl 3-propan-2-yloxypropyl hydrogen phosphate.
What is the SMILES notation for methyl 3-propan-2-yloxypropyl hydrogen phosphate?
The canonical SMILES for methyl 3-propan-2-yloxypropyl hydrogen phosphate is COP(=O)(O)OCCCOC(C)C.
What is the InChIKey of methyl 3-propan-2-yloxypropyl hydrogen phosphate?
The InChIKey is LMECDBRDIXUOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O5P/c1-7(2)11-5-4-6-12-13(8,9)10-3/h7H,4-6H2,1-3H3,(H,8,9).
What are the key properties of methyl 3-propan-2-yloxypropyl hydrogen phosphate?
methyl 3-propan-2-yloxypropyl hydrogen phosphate has a molecular weight of 212.18 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-propan-2-yloxypropyl hydrogen phosphate is sourced from PubChem (CID 89017051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).