bicyclo[2.2.1]hept-2-ene;methyl dihydrogen phosphate

C8H15O4P — CID 19827240

IUPACbicyclo[2.2.1]hept-2-ene;methyl dihydrogen phosphate
SMILESC1=CC2CCC1C2.COP(=O)(O)O
InChIInChI=1S/C7H10.CH5O4P/c1-2-7-4-3-6(1)5-7;1-5-6(2,3)4/h1-2,6-7H,3-5H2;1H3,(H2,2,3,4)
InChIKeyASJJJJRCHXWJRE-UHFFFAOYSA-N
MW206.18 g/mol
LogP1.70
Rot. Bonds1

About bicyclo[2.2.1]hept-2-ene;methyl dihydrogen phosphate

bicyclo[2.2.1]hept-2-ene;methyl dihydrogen phosphate (PubChem CID 19827240) has the molecular formula C8H15O4P and a molecular weight of 206.18 g/mol. Its IUPAC name is bicyclo[2.2.1]hept-2-ene;methyl dihydrogen phosphate.

Molecular Properties

Compound Namebicyclo[2.2.1]hept-2-ene;methyl dihydrogen phosphate
PubChem CID19827240
Molecular FormulaC8H15O4P
Molecular Weight206.18 g/mol
Exact Mass206.07
IUPAC Namebicyclo[2.2.1]hept-2-ene;methyl dihydrogen phosphate
SMILESC1=CC2CCC1C2.COP(=O)(O)O
InChIInChI=1S/C7H10.CH5O4P/c1-2-7-4-3-6(1)5-7;1-5-6(2,3)4/h1-2,6-7H,3-5H2;1H3,(H2,2,3,4)
InChIKeyASJJJJRCHXWJRE-UHFFFAOYSA-N
XLogP1.70
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 10977276
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CID 15358105
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CID 23418938
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CID 23418939
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CID 101010821
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CID 101834859
CID 101834859

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]hept-2-ene;methyl dihydrogen phosphate?
The IUPAC name of bicyclo[2.2.1]hept-2-ene;methyl dihydrogen phosphate (CID 19827240) is bicyclo[2.2.1]hept-2-ene;methyl dihydrogen phosphate.
What is the SMILES notation for bicyclo[2.2.1]hept-2-ene;methyl dihydrogen phosphate?
The canonical SMILES for bicyclo[2.2.1]hept-2-ene;methyl dihydrogen phosphate is C1=CC2CCC1C2.COP(=O)(O)O.
What is the InChIKey of bicyclo[2.2.1]hept-2-ene;methyl dihydrogen phosphate?
The InChIKey is ASJJJJRCHXWJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10.CH5O4P/c1-2-7-4-3-6(1)5-7;1-5-6(2,3)4/h1-2,6-7H,3-5H2;1H3,(H2,2,3,4).
What are the key properties of bicyclo[2.2.1]hept-2-ene;methyl dihydrogen phosphate?
bicyclo[2.2.1]hept-2-ene;methyl dihydrogen phosphate has a molecular weight of 206.18 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]hept-2-ene;methyl dihydrogen phosphate is sourced from PubChem (CID 19827240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).