cyclopent-3-en-1-ol;phosphoric acid

C5H11O5P — CID 172771444

IUPACcyclopent-3-en-1-ol;phosphoric acid
SMILESO=P(O)(O)O.OC1CC=CC1
InChIInChI=1S/C5H8O.H3O4P/c6-5-3-1-2-4-5;1-5(2,3)4/h1-2,5-6H,3-4H2;(H3,1,2,3,4)
InChIKeyMZUSZAWVDRPINP-UHFFFAOYSA-N
MW182.11 g/mol
LogP-0.23
Rot. Bonds

About cyclopent-3-en-1-ol;phosphoric acid

cyclopent-3-en-1-ol;phosphoric acid (PubChem CID 172771444) has the molecular formula C5H11O5P and a molecular weight of 182.11 g/mol. Its IUPAC name is cyclopent-3-en-1-ol;phosphoric acid.

Molecular Properties

Compound Namecyclopent-3-en-1-ol;phosphoric acid
PubChem CID172771444
Molecular FormulaC5H11O5P
Molecular Weight182.11 g/mol
Exact Mass182.03
IUPAC Namecyclopent-3-en-1-ol;phosphoric acid
SMILESO=P(O)(O)O.OC1CC=CC1
InChIInChI=1S/C5H8O.H3O4P/c6-5-3-1-2-4-5;1-5(2,3)4/h1-2,5-6H,3-4H2;(H3,1,2,3,4)
InChIKeyMZUSZAWVDRPINP-UHFFFAOYSA-N
XLogP-0.23
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.11
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-ol;phosphoric acid?
The IUPAC name of cyclopent-3-en-1-ol;phosphoric acid (CID 172771444) is cyclopent-3-en-1-ol;phosphoric acid.
What is the SMILES notation for cyclopent-3-en-1-ol;phosphoric acid?
The canonical SMILES for cyclopent-3-en-1-ol;phosphoric acid is O=P(O)(O)O.OC1CC=CC1.
What is the InChIKey of cyclopent-3-en-1-ol;phosphoric acid?
The InChIKey is MZUSZAWVDRPINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O.H3O4P/c6-5-3-1-2-4-5;1-5(2,3)4/h1-2,5-6H,3-4H2;(H3,1,2,3,4).
What are the key properties of cyclopent-3-en-1-ol;phosphoric acid?
cyclopent-3-en-1-ol;phosphoric acid has a molecular weight of 182.11 g/mol, XLogP of -0.23, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-ol;phosphoric acid is sourced from PubChem (CID 172771444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).