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

C6H13O4P — CID 174465470

IUPACcyclohex-3-en-1-ol;phosphorous acid
SMILESOC1CC=CCC1.OP(O)O
InChIInChI=1S/C6H10O.H3O3P/c7-6-4-2-1-3-5-6;1-4(2)3/h1-2,6-7H,3-5H2;1-3H
InChIKeyDCBLRRHPBOHDJV-UHFFFAOYSA-N
MW180.14 g/mol
LogP0.28
Rot. Bonds

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

cyclohex-3-en-1-ol;phosphorous acid (PubChem CID 174465470) has the molecular formula C6H13O4P and a molecular weight of 180.14 g/mol. Its IUPAC name is cyclohex-3-en-1-ol;phosphorous acid.

Molecular Properties

Compound Namecyclohex-3-en-1-ol;phosphorous acid
PubChem CID174465470
Molecular FormulaC6H13O4P
Molecular Weight180.14 g/mol
Exact Mass180.06
IUPAC Namecyclohex-3-en-1-ol;phosphorous acid
SMILESOC1CC=CCC1.OP(O)O
InChIInChI=1S/C6H10O.H3O3P/c7-6-4-2-1-3-5-6;1-4(2)3/h1-2,6-7H,3-5H2;1-3H
InChIKeyDCBLRRHPBOHDJV-UHFFFAOYSA-N
XLogP0.28
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
LogP ≤ 50.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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;phosphorous acid?
The IUPAC name of cyclohex-3-en-1-ol;phosphorous acid (CID 174465470) is cyclohex-3-en-1-ol;phosphorous acid.
What is the SMILES notation for cyclohex-3-en-1-ol;phosphorous acid?
The canonical SMILES for cyclohex-3-en-1-ol;phosphorous acid is OC1CC=CCC1.OP(O)O.
What is the InChIKey of cyclohex-3-en-1-ol;phosphorous acid?
The InChIKey is DCBLRRHPBOHDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.H3O3P/c7-6-4-2-1-3-5-6;1-4(2)3/h1-2,6-7H,3-5H2;1-3H.
What are the key properties of cyclohex-3-en-1-ol;phosphorous acid?
cyclohex-3-en-1-ol;phosphorous acid has a molecular weight of 180.14 g/mol, XLogP of 0.28, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-ol;phosphorous acid is sourced from PubChem (CID 174465470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).