(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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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).