[ethoxy(methyl)phosphoryl]oxycyclohexane

C9H19O3P — CID 14877041

IUPAC[ethoxy(methyl)phosphoryl]oxycyclohexane
SMILESCCOP(C)(=O)OC1CCCCC1
InChIInChI=1S/C9H19O3P/c1-3-11-13(2,10)12-9-7-5-4-6-8-9/h9H,3-8H2,1-2H3
InChIKeyCMYBFBGWNOWGFG-UHFFFAOYSA-N
MW206.22 g/mol
LogP3.20
Rot. Bonds4

About [ethoxy(methyl)phosphoryl]oxycyclohexane

[ethoxy(methyl)phosphoryl]oxycyclohexane (PubChem CID 14877041) has the molecular formula C9H19O3P and a molecular weight of 206.22 g/mol. Its IUPAC name is [ethoxy(methyl)phosphoryl]oxycyclohexane.

Molecular Properties

Compound Name[ethoxy(methyl)phosphoryl]oxycyclohexane
PubChem CID14877041
Molecular FormulaC9H19O3P
Molecular Weight206.22 g/mol
Exact Mass206.11
IUPAC Name[ethoxy(methyl)phosphoryl]oxycyclohexane
SMILESCCOP(C)(=O)OC1CCCCC1
InChIInChI=1S/C9H19O3P/c1-3-11-13(2,10)12-9-7-5-4-6-8-9/h9H,3-8H2,1-2H3
InChIKeyCMYBFBGWNOWGFG-UHFFFAOYSA-N
XLogP3.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [ethoxy(methyl)phosphoryl]oxycyclohexane?
The IUPAC name of [ethoxy(methyl)phosphoryl]oxycyclohexane (CID 14877041) is [ethoxy(methyl)phosphoryl]oxycyclohexane.
What is the SMILES notation for [ethoxy(methyl)phosphoryl]oxycyclohexane?
The canonical SMILES for [ethoxy(methyl)phosphoryl]oxycyclohexane is CCOP(C)(=O)OC1CCCCC1.
What is the InChIKey of [ethoxy(methyl)phosphoryl]oxycyclohexane?
The InChIKey is CMYBFBGWNOWGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O3P/c1-3-11-13(2,10)12-9-7-5-4-6-8-9/h9H,3-8H2,1-2H3.
What are the key properties of [ethoxy(methyl)phosphoryl]oxycyclohexane?
[ethoxy(methyl)phosphoryl]oxycyclohexane has a molecular weight of 206.22 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy(methyl)phosphoryl]oxycyclohexane is sourced from PubChem (CID 14877041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).