1-dimethoxyphosphorylcyclohex-2-en-1-ol

C8H15O4P — CID 11074531

IUPAC1-dimethoxyphosphorylcyclohex-2-en-1-ol
SMILESCOP(=O)(OC)C1(O)C=CCCC1
InChIInChI=1S/C8H15O4P/c1-11-13(10,12-2)8(9)6-4-3-5-7-8/h4,6,9H,3,5,7H2,1-2H3
InChIKeyVZYBQHSRAQNCIB-UHFFFAOYSA-N
MW206.18 g/mol
LogP1.90
Rot. Bonds3

About 1-dimethoxyphosphorylcyclohex-2-en-1-ol

1-dimethoxyphosphorylcyclohex-2-en-1-ol (PubChem CID 11074531) has the molecular formula C8H15O4P and a molecular weight of 206.18 g/mol. Its IUPAC name is 1-dimethoxyphosphorylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-dimethoxyphosphorylcyclohex-2-en-1-ol
PubChem CID11074531
Molecular FormulaC8H15O4P
Molecular Weight206.18 g/mol
Exact Mass206.07
IUPAC Name1-dimethoxyphosphorylcyclohex-2-en-1-ol
SMILESCOP(=O)(OC)C1(O)C=CCCC1
InChIInChI=1S/C8H15O4P/c1-11-13(10,12-2)8(9)6-4-3-5-7-8/h4,6,9H,3,5,7H2,1-2H3
InChIKeyVZYBQHSRAQNCIB-UHFFFAOYSA-N
XLogP1.90
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 51.90
H-Bond Donors ≤ 51
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 1-dimethoxyphosphorylcyclohex-2-en-1-ol?
The IUPAC name of 1-dimethoxyphosphorylcyclohex-2-en-1-ol (CID 11074531) is 1-dimethoxyphosphorylcyclohex-2-en-1-ol.
What is the SMILES notation for 1-dimethoxyphosphorylcyclohex-2-en-1-ol?
The canonical SMILES for 1-dimethoxyphosphorylcyclohex-2-en-1-ol is COP(=O)(OC)C1(O)C=CCCC1.
What is the InChIKey of 1-dimethoxyphosphorylcyclohex-2-en-1-ol?
The InChIKey is VZYBQHSRAQNCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O4P/c1-11-13(10,12-2)8(9)6-4-3-5-7-8/h4,6,9H,3,5,7H2,1-2H3.
What are the key properties of 1-dimethoxyphosphorylcyclohex-2-en-1-ol?
1-dimethoxyphosphorylcyclohex-2-en-1-ol has a molecular weight of 206.18 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphorylcyclohex-2-en-1-ol is sourced from PubChem (CID 11074531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).