pent-4-en-2-yl dihydrogen phosphate

C5H11O4P — CID 21344880

IUPACpent-4-en-2-yl dihydrogen phosphate
SMILESC=CCC(C)OP(=O)(O)O
InChIInChI=1S/C5H11O4P/c1-3-4-5(2)9-10(6,7)8/h3,5H,1,4H2,2H3,(H2,6,7,8)
InChIKeyKYAKVKGKFZPBCR-UHFFFAOYSA-N
MW166.11 g/mol
LogP1.06
Rot. Bonds4

About pent-4-en-2-yl dihydrogen phosphate

pent-4-en-2-yl dihydrogen phosphate (PubChem CID 21344880) has the molecular formula C5H11O4P and a molecular weight of 166.11 g/mol. Its IUPAC name is pent-4-en-2-yl dihydrogen phosphate.

Molecular Properties

Compound Namepent-4-en-2-yl dihydrogen phosphate
PubChem CID21344880
Molecular FormulaC5H11O4P
Molecular Weight166.11 g/mol
Exact Mass166.04
IUPAC Namepent-4-en-2-yl dihydrogen phosphate
SMILESC=CCC(C)OP(=O)(O)O
InChIInChI=1S/C5H11O4P/c1-3-4-5(2)9-10(6,7)8/h3,5H,1,4H2,2H3,(H2,6,7,8)
InChIKeyKYAKVKGKFZPBCR-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

But-3-enyl phosphono hydrogen phosphate
CID 15818140
But-3-en-1-yl dihydrogen phosphate
CID 21344887
Tris(3-fluoropent-4-en-2-yl) phosphate
CID 87515169
2-Fluoropent-4-en-2-yl dihydrogen phosphate
CID 87515171
3-Fluoropent-4-en-2-yl dihydrogen phosphate
CID 87515172
Methyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid
CID 117902483
1,1-Difluorohepta-1,6-dien-4-yl dihydrogen phosphate
CID 175351933
1,1-Difluorohexa-1,5-dien-3-yl dihydrogen phosphate
CID 175386377
Dimethyl pent-4-enyl phosphate
CID 162407603
But-3-enyl methyl hydrogen phosphate
CID 17886759
Hex-5-en-3-yl [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate
CID 18458042
[(E)-hex-1-enyl] dihydrogen phosphate
CID 19800837

Frequently Asked Questions

What is the IUPAC name of pent-4-en-2-yl dihydrogen phosphate?
The IUPAC name of pent-4-en-2-yl dihydrogen phosphate (CID 21344880) is pent-4-en-2-yl dihydrogen phosphate.
What is the SMILES notation for pent-4-en-2-yl dihydrogen phosphate?
The canonical SMILES for pent-4-en-2-yl dihydrogen phosphate is C=CCC(C)OP(=O)(O)O.
What is the InChIKey of pent-4-en-2-yl dihydrogen phosphate?
The InChIKey is KYAKVKGKFZPBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O4P/c1-3-4-5(2)9-10(6,7)8/h3,5H,1,4H2,2H3,(H2,6,7,8).
What are the key properties of pent-4-en-2-yl dihydrogen phosphate?
pent-4-en-2-yl 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-4-en-2-yl dihydrogen phosphate is sourced from PubChem (CID 21344880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).