methane;prop-2-enyl dihydrogen phosphate

C4H11O4P — CID 87755414

IUPACmethane;prop-2-enyl dihydrogen phosphate
SMILESC.C=CCOP(=O)(O)O
InChIInChI=1S/C3H7O4P.CH4/c1-2-3-7-8(4,5)6;/h2H,1,3H2,(H2,4,5,6);1H4
InChIKeyJEUMQTYCHNAGTE-UHFFFAOYSA-N
MW154.10 g/mol
LogP0.92
Rot. Bonds3

About methane;prop-2-enyl dihydrogen phosphate

methane;prop-2-enyl dihydrogen phosphate (PubChem CID 87755414) has the molecular formula C4H11O4P and a molecular weight of 154.10 g/mol. Its IUPAC name is methane;prop-2-enyl dihydrogen phosphate.

Molecular Properties

Compound Namemethane;prop-2-enyl dihydrogen phosphate
PubChem CID87755414
Molecular FormulaC4H11O4P
Molecular Weight154.10 g/mol
Exact Mass154.04
IUPAC Namemethane;prop-2-enyl dihydrogen phosphate
SMILESC.C=CCOP(=O)(O)O
InChIInChI=1S/C3H7O4P.CH4/c1-2-3-7-8(4,5)6;/h2H,1,3H2,(H2,4,5,6);1H4
InChIKeyJEUMQTYCHNAGTE-UHFFFAOYSA-N
XLogP0.92
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.10
LogP ≤ 50.92
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

trisodium;hydride;phosphoric acid;prop-2-enyl dihydrogen phosphate
CID 174828958
carbonochloridic acid;prop-2-enyl dihydrogen phosphate
CID 174647685
phenol;prop-2-enyl dihydrogen phosphate
CID 66654883
2-(dimethylamino)propanoic acid;prop-2-enyl dihydrogen phosphate
CID 174397830
prop-2-enyl dihydrogen phosphate;bis(1-prop-2-enylimidazole)
CID 173050176
disodium;prop-2-enyl phosphate
CID 87157623
3,3-dichloroprop-2-enyl dihydrogen phosphate
CID 87692157
(3-phosphonooxy-1-prop-2-enoyloxyprop-1-enyl) prop-2-enoate
CID 87447167
methoxycarbonyl(prop-2-enoxy)phosphinic acid
CID 130449055
1-bis(prop-2-enoxy)phosphorylprop-2-en-1-one
CID 141060498
2-ethenylbut-3-enyl dihydrogen phosphate
CID 90185562
3-methylbut-2-enyl dihydrogen phosphate;phosphoric acid
CID 174360920

Frequently Asked Questions

What is the IUPAC name of methane;prop-2-enyl dihydrogen phosphate?
The IUPAC name of methane;prop-2-enyl dihydrogen phosphate (CID 87755414) is methane;prop-2-enyl dihydrogen phosphate.
What is the SMILES notation for methane;prop-2-enyl dihydrogen phosphate?
The canonical SMILES for methane;prop-2-enyl dihydrogen phosphate is C.C=CCOP(=O)(O)O.
What is the InChIKey of methane;prop-2-enyl dihydrogen phosphate?
The InChIKey is JEUMQTYCHNAGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O4P.CH4/c1-2-3-7-8(4,5)6;/h2H,1,3H2,(H2,4,5,6);1H4.
What are the key properties of methane;prop-2-enyl dihydrogen phosphate?
methane;prop-2-enyl dihydrogen phosphate has a molecular weight of 154.10 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;prop-2-enyl dihydrogen phosphate is sourced from PubChem (CID 87755414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).