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

C6H13O5P — CID 172824325

IUPACcyclohex-3-en-1-ol;phosphoric acid
SMILESO=P(O)(O)O.OC1CC=CCC1
InChIInChI=1S/C6H10O.H3O4P/c7-6-4-2-1-3-5-6;1-5(2,3)4/h1-2,6-7H,3-5H2;(H3,1,2,3,4)
InChIKeyUQRHPESPVJNMRP-UHFFFAOYSA-N
MW196.14 g/mol
LogP0.16
Rot. Bonds

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

cyclohex-3-en-1-ol;phosphoric acid (PubChem CID 172824325) has the molecular formula C6H13O5P and a molecular weight of 196.14 g/mol. Its IUPAC name is cyclohex-3-en-1-ol;phosphoric acid.

Molecular Properties

Compound Namecyclohex-3-en-1-ol;phosphoric acid
PubChem CID172824325
Molecular FormulaC6H13O5P
Molecular Weight196.14 g/mol
Exact Mass196.05
IUPAC Namecyclohex-3-en-1-ol;phosphoric acid
SMILESO=P(O)(O)O.OC1CC=CCC1
InChIInChI=1S/C6H10O.H3O4P/c7-6-4-2-1-3-5-6;1-5(2,3)4/h1-2,6-7H,3-5H2;(H3,1,2,3,4)
InChIKeyUQRHPESPVJNMRP-UHFFFAOYSA-N
XLogP0.16
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.14
LogP ≤ 50.16
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 cyclohex-3-en-1-ol;phosphoric acid?
The IUPAC name of cyclohex-3-en-1-ol;phosphoric acid (CID 172824325) is cyclohex-3-en-1-ol;phosphoric acid.
What is the SMILES notation for cyclohex-3-en-1-ol;phosphoric acid?
The canonical SMILES for cyclohex-3-en-1-ol;phosphoric acid is O=P(O)(O)O.OC1CC=CCC1.
What is the InChIKey of cyclohex-3-en-1-ol;phosphoric acid?
The InChIKey is UQRHPESPVJNMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.H3O4P/c7-6-4-2-1-3-5-6;1-5(2,3)4/h1-2,6-7H,3-5H2;(H3,1,2,3,4).
What are the key properties of cyclohex-3-en-1-ol;phosphoric acid?
cyclohex-3-en-1-ol;phosphoric acid has a molecular weight of 196.14 g/mol, XLogP of 0.16, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-ol;phosphoric acid is sourced from PubChem (CID 172824325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).