1-dimethoxyphosphoryl-3-methylcyclohexan-1-ol

C9H19O4P — CID 23413452

IUPAC1-dimethoxyphosphoryl-3-methylcyclohexan-1-ol
SMILESCOP(=O)(OC)C1(O)CCCC(C)C1
InChIInChI=1S/C9H19O4P/c1-8-5-4-6-9(10,7-8)14(11,12-2)13-3/h8,10H,4-7H2,1-3H3
InChIKeyYNQVQIGDCYTNAZ-UHFFFAOYSA-N
MW222.22 g/mol
LogP2.37
Rot. Bonds3

About 1-dimethoxyphosphoryl-3-methylcyclohexan-1-ol

1-dimethoxyphosphoryl-3-methylcyclohexan-1-ol (PubChem CID 23413452) has the molecular formula C9H19O4P and a molecular weight of 222.22 g/mol. Its IUPAC name is 1-dimethoxyphosphoryl-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-dimethoxyphosphoryl-3-methylcyclohexan-1-ol
PubChem CID23413452
Molecular FormulaC9H19O4P
Molecular Weight222.22 g/mol
Exact Mass222.10
IUPAC Name1-dimethoxyphosphoryl-3-methylcyclohexan-1-ol
SMILESCOP(=O)(OC)C1(O)CCCC(C)C1
InChIInChI=1S/C9H19O4P/c1-8-5-4-6-9(10,7-8)14(11,12-2)13-3/h8,10H,4-7H2,1-3H3
InChIKeyYNQVQIGDCYTNAZ-UHFFFAOYSA-N
XLogP2.37
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-dimethoxyphosphoryl-3-methylcyclohexan-1-ol?
The IUPAC name of 1-dimethoxyphosphoryl-3-methylcyclohexan-1-ol (CID 23413452) is 1-dimethoxyphosphoryl-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-dimethoxyphosphoryl-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-dimethoxyphosphoryl-3-methylcyclohexan-1-ol is COP(=O)(OC)C1(O)CCCC(C)C1.
What is the InChIKey of 1-dimethoxyphosphoryl-3-methylcyclohexan-1-ol?
The InChIKey is YNQVQIGDCYTNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O4P/c1-8-5-4-6-9(10,7-8)14(11,12-2)13-3/h8,10H,4-7H2,1-3H3.
What are the key properties of 1-dimethoxyphosphoryl-3-methylcyclohexan-1-ol?
1-dimethoxyphosphoryl-3-methylcyclohexan-1-ol has a molecular weight of 222.22 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphoryl-3-methylcyclohexan-1-ol is sourced from PubChem (CID 23413452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).