4-chlorobut-3-enyl dihydrogen phosphate

C4H8ClO4P — CID 154328180

IUPAC4-chlorobut-3-enyl dihydrogen phosphate
SMILESO=P(O)(O)OCCC=CCl
InChIInChI=1S/C4H8ClO4P/c5-3-1-2-4-9-10(6,7)8/h1,3H,2,4H2,(H2,6,7,8)
InChIKeyKBYIKDXEAGQJAQ-UHFFFAOYSA-N
MW186.53 g/mol
LogP1.24
Rot. Bonds4

About 4-chlorobut-3-enyl dihydrogen phosphate

4-chlorobut-3-enyl dihydrogen phosphate (PubChem CID 154328180) has the molecular formula C4H8ClO4P and a molecular weight of 186.53 g/mol. Its IUPAC name is 4-chlorobut-3-enyl dihydrogen phosphate.

Molecular Properties

Compound Name4-chlorobut-3-enyl dihydrogen phosphate
PubChem CID154328180
Molecular FormulaC4H8ClO4P
Molecular Weight186.53 g/mol
Exact Mass185.98
IUPAC Name4-chlorobut-3-enyl dihydrogen phosphate
SMILESO=P(O)(O)OCCC=CCl
InChIInChI=1S/C4H8ClO4P/c5-3-1-2-4-9-10(6,7)8/h1,3H,2,4H2,(H2,6,7,8)
InChIKeyKBYIKDXEAGQJAQ-UHFFFAOYSA-N
XLogP1.24
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.53
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-phosphonooxypent-2-enoic acid
CID 87373940
9-phosphonooxynonyl dihydrogen phosphate
CID 142711404
10-phosphonooxydecyl dihydrogen phosphate
CID 19764276
[(5E,8E,11E,14E,17E)-2-ethyl-20-phosphonooxyicosa-5,8,11,14,17-pentaenyl] dihydrogen phosphate
CID 142700315
2-hydroxyethyl dihydrogen phosphate;phosphoric acid
CID 155226574
[(Z)-hexadec-9-enyl] dihydrogen phosphate
CID 122597985
[(3E)-hexa-3,5-dienoxy]-methylphosphinic acid
CID 20726647
2-[2-(2-chloroethoxy)ethoxy]ethyl dihydrogen phosphate
CID 166607850
13-chlorotridecyl dihydrogen phosphate
CID 87684789
25-chloropentacosyl dihydrogen phosphate
CID 87683690
dicalcium;hydride;2-hydroxyethyl dihydrogen phosphate
CID 174231614
ethene;2-hydroxyethyl dihydrogen phosphate
CID 173023199

Frequently Asked Questions

What is the IUPAC name of 4-chlorobut-3-enyl dihydrogen phosphate?
The IUPAC name of 4-chlorobut-3-enyl dihydrogen phosphate (CID 154328180) is 4-chlorobut-3-enyl dihydrogen phosphate.
What is the SMILES notation for 4-chlorobut-3-enyl dihydrogen phosphate?
The canonical SMILES for 4-chlorobut-3-enyl dihydrogen phosphate is O=P(O)(O)OCCC=CCl.
What is the InChIKey of 4-chlorobut-3-enyl dihydrogen phosphate?
The InChIKey is KBYIKDXEAGQJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClO4P/c5-3-1-2-4-9-10(6,7)8/h1,3H,2,4H2,(H2,6,7,8).
What are the key properties of 4-chlorobut-3-enyl dihydrogen phosphate?
4-chlorobut-3-enyl dihydrogen phosphate has a molecular weight of 186.53 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorobut-3-enyl dihydrogen phosphate is sourced from PubChem (CID 154328180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).