1-[ethyl(methoxy)phosphoryl]oxyhexane

C9H21O3P — CID 580575

IUPAC1-[ethyl(methoxy)phosphoryl]oxyhexane
SMILESCCCCCCOP(=O)(CC)OC
InChIInChI=1S/C9H21O3P/c1-4-6-7-8-9-12-13(10,5-2)11-3/h4-9H2,1-3H3
InChIKeyIBSDEBBTLRXUOL-UHFFFAOYSA-N
MW208.24 g/mol
LogP3.44
Rot. Bonds8

About 1-[ethyl(methoxy)phosphoryl]oxyhexane

1-[ethyl(methoxy)phosphoryl]oxyhexane (PubChem CID 580575) has the molecular formula C9H21O3P and a molecular weight of 208.24 g/mol. Its IUPAC name is 1-[ethyl(methoxy)phosphoryl]oxyhexane.

Molecular Properties

Compound Name1-[ethyl(methoxy)phosphoryl]oxyhexane
PubChem CID580575
Molecular FormulaC9H21O3P
Molecular Weight208.24 g/mol
Exact Mass208.12
IUPAC Name1-[ethyl(methoxy)phosphoryl]oxyhexane
SMILESCCCCCCOP(=O)(CC)OC
InChIInChI=1S/C9H21O3P/c1-4-6-7-8-9-12-13(10,5-2)11-3/h4-9H2,1-3H3
InChIKeyIBSDEBBTLRXUOL-UHFFFAOYSA-N
XLogP3.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 53.44
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]oxyhexane?
The IUPAC name of 1-[ethyl(methoxy)phosphoryl]oxyhexane (CID 580575) is 1-[ethyl(methoxy)phosphoryl]oxyhexane.
What is the SMILES notation for 1-[ethyl(methoxy)phosphoryl]oxyhexane?
The canonical SMILES for 1-[ethyl(methoxy)phosphoryl]oxyhexane is CCCCCCOP(=O)(CC)OC.
What is the InChIKey of 1-[ethyl(methoxy)phosphoryl]oxyhexane?
The InChIKey is IBSDEBBTLRXUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21O3P/c1-4-6-7-8-9-12-13(10,5-2)11-3/h4-9H2,1-3H3.
What are the key properties of 1-[ethyl(methoxy)phosphoryl]oxyhexane?
1-[ethyl(methoxy)phosphoryl]oxyhexane has a molecular weight of 208.24 g/mol, XLogP of 3.44, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(methoxy)phosphoryl]oxyhexane is sourced from PubChem (CID 580575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).