(2-ethyl-1-methylcyclopropyl)methyl dihydrogen phosphate

C7H15O4P — CID 89240653

IUPAC(2-ethyl-1-methylcyclopropyl)methyl dihydrogen phosphate
SMILESCCC1CC1(C)COP(=O)(O)O
InChIInChI=1S/C7H15O4P/c1-3-6-4-7(6,2)5-11-12(8,9)10/h6H,3-5H2,1-2H3,(H2,8,9,10)
InChIKeyAXUHLKYIRIUIMF-UHFFFAOYSA-N
MW194.17 g/mol
LogP1.53
Rot. Bonds4

About (2-ethyl-1-methylcyclopropyl)methyl dihydrogen phosphate

(2-ethyl-1-methylcyclopropyl)methyl dihydrogen phosphate (PubChem CID 89240653) has the molecular formula C7H15O4P and a molecular weight of 194.17 g/mol. Its IUPAC name is (2-ethyl-1-methylcyclopropyl)methyl dihydrogen phosphate.

Molecular Properties

Compound Name(2-ethyl-1-methylcyclopropyl)methyl dihydrogen phosphate
PubChem CID89240653
Molecular FormulaC7H15O4P
Molecular Weight194.17 g/mol
Exact Mass194.07
IUPAC Name(2-ethyl-1-methylcyclopropyl)methyl dihydrogen phosphate
SMILESCCC1CC1(C)COP(=O)(O)O
InChIInChI=1S/C7H15O4P/c1-3-6-4-7(6,2)5-11-12(8,9)10/h6H,3-5H2,1-2H3,(H2,8,9,10)
InChIKeyAXUHLKYIRIUIMF-UHFFFAOYSA-N
XLogP1.53
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,2-dichloro-1-methylcyclopropyl)methyl dihydrogen phosphate
CID 20565392
5-(2-ethyl-1-methylcyclopropyl)-2-methylpentan-2-ol
CID 59005357
alumane;tris(ethyl dihydrogen phosphate)
CID 173189565
alumane;ethyl dihydrogen phosphate
CID 173113989
azane;bis(ethyl dihydrogen phosphate)
CID 174611775
CID 87495286
CID 87495286
(2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) dihydrogen phosphate
CID 69301568
[(1S,3S,5R)-5-methyl-2-oxabicyclo[3.1.0]hexan-3-yl]methyl dihydrogen phosphate
CID 134176711
1-(2,3-dimethylbutyl)-2-ethyl-1-methylcyclopropane
CID 123895340
(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methyl dihydrogen phosphate
CID 174251091
potassium;tris(ethyl dihydrogen phosphate);hydride
CID 173395794
(1,2-diethylcyclohexyl) dihydrogen phosphate
CID 67296189

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1-methylcyclopropyl)methyl dihydrogen phosphate?
The IUPAC name of (2-ethyl-1-methylcyclopropyl)methyl dihydrogen phosphate (CID 89240653) is (2-ethyl-1-methylcyclopropyl)methyl dihydrogen phosphate.
What is the SMILES notation for (2-ethyl-1-methylcyclopropyl)methyl dihydrogen phosphate?
The canonical SMILES for (2-ethyl-1-methylcyclopropyl)methyl dihydrogen phosphate is CCC1CC1(C)COP(=O)(O)O.
What is the InChIKey of (2-ethyl-1-methylcyclopropyl)methyl dihydrogen phosphate?
The InChIKey is AXUHLKYIRIUIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O4P/c1-3-6-4-7(6,2)5-11-12(8,9)10/h6H,3-5H2,1-2H3,(H2,8,9,10).
What are the key properties of (2-ethyl-1-methylcyclopropyl)methyl dihydrogen phosphate?
(2-ethyl-1-methylcyclopropyl)methyl dihydrogen phosphate has a molecular weight of 194.17 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1-methylcyclopropyl)methyl dihydrogen phosphate is sourced from PubChem (CID 89240653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).