1-cyclohexyl-2-dimethoxyphosphorylethanone

C10H19O4P — CID 13187487

IUPAC1-cyclohexyl-2-dimethoxyphosphorylethanone
SMILESCOP(=O)(CC(=O)C1CCCCC1)OC
InChIInChI=1S/C10H19O4P/c1-13-15(12,14-2)8-10(11)9-6-4-3-5-7-9/h9H,3-8H2,1-2H3
InChIKeyFTZNMXSYERMMBC-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.62
Rot. Bonds5

About 1-cyclohexyl-2-dimethoxyphosphorylethanone

1-cyclohexyl-2-dimethoxyphosphorylethanone (PubChem CID 13187487) has the molecular formula C10H19O4P and a molecular weight of 234.23 g/mol. Its IUPAC name is 1-cyclohexyl-2-dimethoxyphosphorylethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-dimethoxyphosphorylethanone
PubChem CID13187487
Molecular FormulaC10H19O4P
Molecular Weight234.23 g/mol
Exact Mass234.10
IUPAC Name1-cyclohexyl-2-dimethoxyphosphorylethanone
SMILESCOP(=O)(CC(=O)C1CCCCC1)OC
InChIInChI=1S/C10H19O4P/c1-13-15(12,14-2)8-10(11)9-6-4-3-5-7-9/h9H,3-8H2,1-2H3
InChIKeyFTZNMXSYERMMBC-UHFFFAOYSA-N
XLogP2.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.62
H-Bond Donors ≤ 50
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-cyclohexyl-2-dimethoxyphosphorylethanone?
The IUPAC name of 1-cyclohexyl-2-dimethoxyphosphorylethanone (CID 13187487) is 1-cyclohexyl-2-dimethoxyphosphorylethanone.
What is the SMILES notation for 1-cyclohexyl-2-dimethoxyphosphorylethanone?
The canonical SMILES for 1-cyclohexyl-2-dimethoxyphosphorylethanone is COP(=O)(CC(=O)C1CCCCC1)OC.
What is the InChIKey of 1-cyclohexyl-2-dimethoxyphosphorylethanone?
The InChIKey is FTZNMXSYERMMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O4P/c1-13-15(12,14-2)8-10(11)9-6-4-3-5-7-9/h9H,3-8H2,1-2H3.
What are the key properties of 1-cyclohexyl-2-dimethoxyphosphorylethanone?
1-cyclohexyl-2-dimethoxyphosphorylethanone has a molecular weight of 234.23 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-dimethoxyphosphorylethanone is sourced from PubChem (CID 13187487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).