cyclohexyl ethyl methyl phosphate

C9H19O4P — CID 66729683

IUPACcyclohexyl ethyl methyl phosphate
SMILESCCOP(=O)(OC)OC1CCCCC1
InChIInChI=1S/C9H19O4P/c1-3-12-14(10,11-2)13-9-7-5-4-6-8-9/h9H,3-8H2,1-2H3
InChIKeyQTFDXDSHWJCDDO-UHFFFAOYSA-N
MW222.22 g/mol
LogP3.13
Rot. Bonds5

About cyclohexyl ethyl methyl phosphate

cyclohexyl ethyl methyl phosphate (PubChem CID 66729683) has the molecular formula C9H19O4P and a molecular weight of 222.22 g/mol. Its IUPAC name is cyclohexyl ethyl methyl phosphate.

Molecular Properties

Compound Namecyclohexyl ethyl methyl phosphate
PubChem CID66729683
Molecular FormulaC9H19O4P
Molecular Weight222.22 g/mol
Exact Mass222.10
IUPAC Namecyclohexyl ethyl methyl phosphate
SMILESCCOP(=O)(OC)OC1CCCCC1
InChIInChI=1S/C9H19O4P/c1-3-12-14(10,11-2)13-9-7-5-4-6-8-9/h9H,3-8H2,1-2H3
InChIKeyQTFDXDSHWJCDDO-UHFFFAOYSA-N
XLogP3.13
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 53.13
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 cyclohexyl ethyl methyl phosphate?
The IUPAC name of cyclohexyl ethyl methyl phosphate (CID 66729683) is cyclohexyl ethyl methyl phosphate.
What is the SMILES notation for cyclohexyl ethyl methyl phosphate?
The canonical SMILES for cyclohexyl ethyl methyl phosphate is CCOP(=O)(OC)OC1CCCCC1.
What is the InChIKey of cyclohexyl ethyl methyl phosphate?
The InChIKey is QTFDXDSHWJCDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O4P/c1-3-12-14(10,11-2)13-9-7-5-4-6-8-9/h9H,3-8H2,1-2H3.
What are the key properties of cyclohexyl ethyl methyl phosphate?
cyclohexyl ethyl methyl phosphate has a molecular weight of 222.22 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl ethyl methyl phosphate is sourced from PubChem (CID 66729683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).