1-[methoxy(methyl)phosphoryl]oxybutane

C6H15O3P — CID 574013

IUPAC1-[methoxy(methyl)phosphoryl]oxybutane
SMILESCCCCOP(C)(=O)OC
InChIInChI=1S/C6H15O3P/c1-4-5-6-9-10(3,7)8-2/h4-6H2,1-3H3
InChIKeyGGDMDPJAZASFLC-UHFFFAOYSA-N
MW166.16 g/mol
LogP2.27
Rot. Bonds5

About 1-[methoxy(methyl)phosphoryl]oxybutane

1-[methoxy(methyl)phosphoryl]oxybutane (PubChem CID 574013) has the molecular formula C6H15O3P and a molecular weight of 166.16 g/mol. Its IUPAC name is 1-[methoxy(methyl)phosphoryl]oxybutane.

Molecular Properties

Compound Name1-[methoxy(methyl)phosphoryl]oxybutane
PubChem CID574013
Molecular FormulaC6H15O3P
Molecular Weight166.16 g/mol
Exact Mass166.08
IUPAC Name1-[methoxy(methyl)phosphoryl]oxybutane
SMILESCCCCOP(C)(=O)OC
InChIInChI=1S/C6H15O3P/c1-4-5-6-9-10(3,7)8-2/h4-6H2,1-3H3
InChIKeyGGDMDPJAZASFLC-UHFFFAOYSA-N
XLogP2.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Diethyl hydrogen phosphite
CID 6327654
Dibutyl hydrogen phosphite
CID 6327349
Dibutyl butylphosphonate
CID 6539
Diethyl ethylphosphonate
CID 6534
Monobutyl phosphate
CID 15389
Diethyl methylphosphonate
CID 12685
Ethyl methyl ethylphosphonate
CID 79183
Phosphonic acid, monobutyl ester
CID 6327918
Butyl methylphosphinate
CID 10877172
Dibutyl propylphosphonate
CID 99440
Ethyl methylphosphinate
CID 6328184
Butyl methylphosphonate
CID 12459492

Frequently Asked Questions

What is the IUPAC name of 1-[methoxy(methyl)phosphoryl]oxybutane?
The IUPAC name of 1-[methoxy(methyl)phosphoryl]oxybutane (CID 574013) is 1-[methoxy(methyl)phosphoryl]oxybutane.
What is the SMILES notation for 1-[methoxy(methyl)phosphoryl]oxybutane?
The canonical SMILES for 1-[methoxy(methyl)phosphoryl]oxybutane is CCCCOP(C)(=O)OC.
What is the InChIKey of 1-[methoxy(methyl)phosphoryl]oxybutane?
The InChIKey is GGDMDPJAZASFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O3P/c1-4-5-6-9-10(3,7)8-2/h4-6H2,1-3H3.
What are the key properties of 1-[methoxy(methyl)phosphoryl]oxybutane?
1-[methoxy(methyl)phosphoryl]oxybutane has a molecular weight of 166.16 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methoxy(methyl)phosphoryl]oxybutane is sourced from PubChem (CID 574013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).