2-[methoxy(methyl)phosphoryl]oxybutane

C6H15O3P — CID 574128

IUPAC2-[methoxy(methyl)phosphoryl]oxybutane
SMILESCCC(C)OP(C)(=O)OC
InChIInChI=1S/C6H15O3P/c1-5-6(2)9-10(4,7)8-3/h6H,5H2,1-4H3
InChIKeyQNYXJYNRXOELQO-UHFFFAOYSA-N
MW166.16 g/mol
LogP2.27
Rot. Bonds4

About 2-[methoxy(methyl)phosphoryl]oxybutane

2-[methoxy(methyl)phosphoryl]oxybutane (PubChem CID 574128) has the molecular formula C6H15O3P and a molecular weight of 166.16 g/mol. Its IUPAC name is 2-[methoxy(methyl)phosphoryl]oxybutane.

Molecular Properties

Compound Name2-[methoxy(methyl)phosphoryl]oxybutane
PubChem CID574128
Molecular FormulaC6H15O3P
Molecular Weight166.16 g/mol
Exact Mass166.08
IUPAC Name2-[methoxy(methyl)phosphoryl]oxybutane
SMILESCCC(C)OP(C)(=O)OC
InChIInChI=1S/C6H15O3P/c1-5-6(2)9-10(4,7)8-3/h6H,5H2,1-4H3
InChIKeyQNYXJYNRXOELQO-UHFFFAOYSA-N
XLogP2.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.16
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diisopropyl Fluorophosphate
CID 5936
Diisopropyl Methylphosphonate
CID 3073
Sarin
CID 7871
Tetraisopropyl methylenediphosphonate
CID 74266
Isopropyl methylphosphonate
CID 15778
Diisopropyl phosphite
CID 3072
Diisopropyl phosphate
CID 74162
Ethylsarin
CID 65566
Diethyl methylphosphonate
CID 12685
2-Propyl methylphosphonochloridate
CID 102124
O,O-Diisopropyl phosphonate
CID 6327350
Diisopropyl Phosphorochloridate
CID 164989

Frequently Asked Questions

What is the IUPAC name of 2-[methoxy(methyl)phosphoryl]oxybutane?
The IUPAC name of 2-[methoxy(methyl)phosphoryl]oxybutane (CID 574128) is 2-[methoxy(methyl)phosphoryl]oxybutane.
What is the SMILES notation for 2-[methoxy(methyl)phosphoryl]oxybutane?
The canonical SMILES for 2-[methoxy(methyl)phosphoryl]oxybutane is CCC(C)OP(C)(=O)OC.
What is the InChIKey of 2-[methoxy(methyl)phosphoryl]oxybutane?
The InChIKey is QNYXJYNRXOELQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O3P/c1-5-6(2)9-10(4,7)8-3/h6H,5H2,1-4H3.
What are the key properties of 2-[methoxy(methyl)phosphoryl]oxybutane?
2-[methoxy(methyl)phosphoryl]oxybutane has a molecular weight of 166.16 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxy(methyl)phosphoryl]oxybutane is sourced from PubChem (CID 574128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).