3-chloropent-2-en-2-yl dihydrogen phosphate

C5H10ClO4P — CID 173408881

IUPAC3-chloropent-2-en-2-yl dihydrogen phosphate
SMILESCCC(Cl)=C(C)OP(=O)(O)O
InChIInChI=1S/C5H10ClO4P/c1-3-5(6)4(2)10-11(7,8)9/h3H2,1-2H3,(H2,7,8,9)
InChIKeyZWRUNKXOKKEIBA-UHFFFAOYSA-N
MW200.56 g/mol
LogP1.98
Rot. Bonds3

About 3-chloropent-2-en-2-yl dihydrogen phosphate

3-chloropent-2-en-2-yl dihydrogen phosphate (PubChem CID 173408881) has the molecular formula C5H10ClO4P and a molecular weight of 200.56 g/mol. Its IUPAC name is 3-chloropent-2-en-2-yl dihydrogen phosphate.

Molecular Properties

Compound Name3-chloropent-2-en-2-yl dihydrogen phosphate
PubChem CID173408881
Molecular FormulaC5H10ClO4P
Molecular Weight200.56 g/mol
Exact Mass200.00
IUPAC Name3-chloropent-2-en-2-yl dihydrogen phosphate
SMILESCCC(Cl)=C(C)OP(=O)(O)O
InChIInChI=1S/C5H10ClO4P/c1-3-5(6)4(2)10-11(7,8)9/h3H2,1-2H3,(H2,7,8,9)
InChIKeyZWRUNKXOKKEIBA-UHFFFAOYSA-N
XLogP1.98
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.56
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-chlorohex-3-en-3-yl dihydrogen phosphate
CID 54311841
5-chlorooct-4-en-4-yl dihydrogen phosphate
CID 54269085
(Z)-3-chloro-2-ethoxypent-2-ene
CID 144636932
phosphono 3-ethyl-2-methylpent-2-enoate
CID 154158605
O-phosphono ethanethioate
CID 155074786
(5-chloro-2-methylpent-2-en-3-yl) dihydrogen phosphate
CID 88726855
phosphono butanoate
CID 266
(Z)-1,2-dichloro-1-[(Z)-1,2-dichlorobut-1-enoxy]but-1-ene
CID 88794570
lithium;potassium;phosphono acetate
CID 71300541
phosphono butanoate;phosphoric acid
CID 175184207
azane;phosphono N-ethylcarbamate
CID 88705839
[(3Z)-4-ethylocta-3,5-dien-3-yl] dihydrogen phosphate
CID 175165284

Frequently Asked Questions

What is the IUPAC name of 3-chloropent-2-en-2-yl dihydrogen phosphate?
The IUPAC name of 3-chloropent-2-en-2-yl dihydrogen phosphate (CID 173408881) is 3-chloropent-2-en-2-yl dihydrogen phosphate.
What is the SMILES notation for 3-chloropent-2-en-2-yl dihydrogen phosphate?
The canonical SMILES for 3-chloropent-2-en-2-yl dihydrogen phosphate is CCC(Cl)=C(C)OP(=O)(O)O.
What is the InChIKey of 3-chloropent-2-en-2-yl dihydrogen phosphate?
The InChIKey is ZWRUNKXOKKEIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClO4P/c1-3-5(6)4(2)10-11(7,8)9/h3H2,1-2H3,(H2,7,8,9).
What are the key properties of 3-chloropent-2-en-2-yl dihydrogen phosphate?
3-chloropent-2-en-2-yl dihydrogen phosphate has a molecular weight of 200.56 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropent-2-en-2-yl dihydrogen phosphate is sourced from PubChem (CID 173408881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).