1-[ethoxy(methyl)phosphoryl]oxyhexane

C9H21O3P — CID 13201425

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

About 1-[ethoxy(methyl)phosphoryl]oxyhexane

1-[ethoxy(methyl)phosphoryl]oxyhexane (PubChem CID 13201425) has the molecular formula C9H21O3P and a molecular weight of 208.24 g/mol. Its IUPAC name is 1-[ethoxy(methyl)phosphoryl]oxyhexane.

Molecular Properties

Compound Name1-[ethoxy(methyl)phosphoryl]oxyhexane
PubChem CID13201425
Molecular FormulaC9H21O3P
Molecular Weight208.24 g/mol
Exact Mass208.12
IUPAC Name1-[ethoxy(methyl)phosphoryl]oxyhexane
SMILESCCCCCCOP(C)(=O)OCC
InChIInChI=1S/C9H21O3P/c1-4-6-7-8-9-12-13(3,10)11-5-2/h4-9H2,1-3H3
InChIKeyDDZCZQWAZQKAHL-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-[ethoxy(methyl)phosphoryl]oxyhexane?
The IUPAC name of 1-[ethoxy(methyl)phosphoryl]oxyhexane (CID 13201425) is 1-[ethoxy(methyl)phosphoryl]oxyhexane.
What is the SMILES notation for 1-[ethoxy(methyl)phosphoryl]oxyhexane?
The canonical SMILES for 1-[ethoxy(methyl)phosphoryl]oxyhexane is CCCCCCOP(C)(=O)OCC.
What is the InChIKey of 1-[ethoxy(methyl)phosphoryl]oxyhexane?
The InChIKey is DDZCZQWAZQKAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21O3P/c1-4-6-7-8-9-12-13(3,10)11-5-2/h4-9H2,1-3H3.
What are the key properties of 1-[ethoxy(methyl)phosphoryl]oxyhexane?
1-[ethoxy(methyl)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-[ethoxy(methyl)phosphoryl]oxyhexane is sourced from PubChem (CID 13201425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).