pent-2-enyl dihydrogen phosphate

C5H11O4P — CID 139789808

IUPACpent-2-enyl dihydrogen phosphate
SMILESCCC=CCOP(=O)(O)O
InChIInChI=1S/C5H11O4P/c1-2-3-4-5-9-10(6,7)8/h3-4H,2,5H2,1H3,(H2,6,7,8)
InChIKeyUYUVICZDKFBICS-UHFFFAOYSA-N
MW166.11 g/mol
LogP1.06
Rot. Bonds4

About pent-2-enyl dihydrogen phosphate

pent-2-enyl dihydrogen phosphate (PubChem CID 139789808) has the molecular formula C5H11O4P and a molecular weight of 166.11 g/mol. Its IUPAC name is pent-2-enyl dihydrogen phosphate.

Molecular Properties

Compound Namepent-2-enyl dihydrogen phosphate
PubChem CID139789808
Molecular FormulaC5H11O4P
Molecular Weight166.11 g/mol
Exact Mass166.04
IUPAC Namepent-2-enyl dihydrogen phosphate
SMILESCCC=CCOP(=O)(O)O
InChIInChI=1S/C5H11O4P/c1-2-3-4-5-9-10(6,7)8/h3-4H,2,5H2,1H3,(H2,6,7,8)
InChIKeyUYUVICZDKFBICS-UHFFFAOYSA-N
XLogP1.06
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.11
LogP ≤ 51.06
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

[(Z)-but-2-enyl] phosphono hydrogen phosphate
CID 44363535
Crotyl phosphate
CID 6365393
Crotyl diphosphate
CID 15818139
[(Z)-but-2-enyl] dihydrogen phosphate
CID 44363368
[(E)-3-methylpent-2-enyl] phosphono hydrogen phosphate
CID 155516962
3-Ethylpent-2-enyl phosphono hydrogen phosphate
CID 155537943
[(~{E})-3-methylhex-2-enyl] dihydrogen phosphate
CID 131800958
But-2-enyl phosphono hydrogen phosphate
CID 54404583
5,5,5-Trifluoropent-3-en-2-yl dihydrogen phosphate
CID 175136123
[(E)-3-methylpent-2-enyl] dihydrogen phosphate
CID 131800957
[(E)-but-2-enyl] dimethyl phosphate
CID 10329919
[(Z)-3-methylpent-2-enyl] phosphono hydrogen phosphate
CID 10706442

Frequently Asked Questions

What is the IUPAC name of pent-2-enyl dihydrogen phosphate?
The IUPAC name of pent-2-enyl dihydrogen phosphate (CID 139789808) is pent-2-enyl dihydrogen phosphate.
What is the SMILES notation for pent-2-enyl dihydrogen phosphate?
The canonical SMILES for pent-2-enyl dihydrogen phosphate is CCC=CCOP(=O)(O)O.
What is the InChIKey of pent-2-enyl dihydrogen phosphate?
The InChIKey is UYUVICZDKFBICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O4P/c1-2-3-4-5-9-10(6,7)8/h3-4H,2,5H2,1H3,(H2,6,7,8).
What are the key properties of pent-2-enyl dihydrogen phosphate?
pent-2-enyl dihydrogen phosphate has a molecular weight of 166.11 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pent-2-enyl dihydrogen phosphate is sourced from PubChem (CID 139789808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).