1-[ethyl(methoxy)phosphoryl]oxypentane

C8H19O3P — CID 580498

IUPAC1-[ethyl(methoxy)phosphoryl]oxypentane
SMILESCCCCCOP(=O)(CC)OC
InChIInChI=1S/C8H19O3P/c1-4-6-7-8-11-12(9,5-2)10-3/h4-8H2,1-3H3
InChIKeyQTFOEXWTHHFYTP-UHFFFAOYSA-N
MW194.21 g/mol
LogP3.05
Rot. Bonds7

About 1-[ethyl(methoxy)phosphoryl]oxypentane

1-[ethyl(methoxy)phosphoryl]oxypentane (PubChem CID 580498) has the molecular formula C8H19O3P and a molecular weight of 194.21 g/mol. Its IUPAC name is 1-[ethyl(methoxy)phosphoryl]oxypentane.

Molecular Properties

Compound Name1-[ethyl(methoxy)phosphoryl]oxypentane
PubChem CID580498
Molecular FormulaC8H19O3P
Molecular Weight194.21 g/mol
Exact Mass194.11
IUPAC Name1-[ethyl(methoxy)phosphoryl]oxypentane
SMILESCCCCCOP(=O)(CC)OC
InChIInChI=1S/C8H19O3P/c1-4-6-7-8-11-12(9,5-2)10-3/h4-8H2,1-3H3
InChIKeyQTFOEXWTHHFYTP-UHFFFAOYSA-N
XLogP3.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(methoxy)phosphoryl]oxypentane?
The IUPAC name of 1-[ethyl(methoxy)phosphoryl]oxypentane (CID 580498) is 1-[ethyl(methoxy)phosphoryl]oxypentane.
What is the SMILES notation for 1-[ethyl(methoxy)phosphoryl]oxypentane?
The canonical SMILES for 1-[ethyl(methoxy)phosphoryl]oxypentane is CCCCCOP(=O)(CC)OC.
What is the InChIKey of 1-[ethyl(methoxy)phosphoryl]oxypentane?
The InChIKey is QTFOEXWTHHFYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O3P/c1-4-6-7-8-11-12(9,5-2)10-3/h4-8H2,1-3H3.
What are the key properties of 1-[ethyl(methoxy)phosphoryl]oxypentane?
1-[ethyl(methoxy)phosphoryl]oxypentane has a molecular weight of 194.21 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(methoxy)phosphoryl]oxypentane is sourced from PubChem (CID 580498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).