1-dimethoxyphosphorylbutane

C6H15O3P — CID 14593820

IUPAC1-dimethoxyphosphorylbutane
SMILESCCCCP(=O)(OC)OC
InChIInChI=1S/C6H15O3P/c1-4-5-6-10(7,8-2)9-3/h4-6H2,1-3H3
InChIKeyVGZFGWCRKIHMDM-UHFFFAOYSA-N
MW166.16 g/mol
LogP2.27
Rot. Bonds5

About 1-dimethoxyphosphorylbutane

1-dimethoxyphosphorylbutane (PubChem CID 14593820) has the molecular formula C6H15O3P and a molecular weight of 166.16 g/mol. Its IUPAC name is 1-dimethoxyphosphorylbutane.

Molecular Properties

Compound Name1-dimethoxyphosphorylbutane
PubChem CID14593820
Molecular FormulaC6H15O3P
Molecular Weight166.16 g/mol
Exact Mass166.08
IUPAC Name1-dimethoxyphosphorylbutane
SMILESCCCCP(=O)(OC)OC
InChIInChI=1S/C6H15O3P/c1-4-5-6-10(7,8-2)9-3/h4-6H2,1-3H3
InChIKeyVGZFGWCRKIHMDM-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': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-dimethoxyphosphorylbutane?
The IUPAC name of 1-dimethoxyphosphorylbutane (CID 14593820) is 1-dimethoxyphosphorylbutane.
What is the SMILES notation for 1-dimethoxyphosphorylbutane?
The canonical SMILES for 1-dimethoxyphosphorylbutane is CCCCP(=O)(OC)OC.
What is the InChIKey of 1-dimethoxyphosphorylbutane?
The InChIKey is VGZFGWCRKIHMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O3P/c1-4-5-6-10(7,8-2)9-3/h4-6H2,1-3H3.
What are the key properties of 1-dimethoxyphosphorylbutane?
1-dimethoxyphosphorylbutane 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-dimethoxyphosphorylbutane is sourced from PubChem (CID 14593820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).