1-[butoxy(propan-2-yl)phosphoryl]oxybutane

C11H25O3P — CID 580343

IUPAC1-[butoxy(propan-2-yl)phosphoryl]oxybutane
SMILESCCCCOP(=O)(OCCCC)C(C)C
InChIInChI=1S/C11H25O3P/c1-5-7-9-13-15(12,11(3)4)14-10-8-6-2/h11H,5-10H2,1-4H3
InChIKeyVKCOKGXTJTZOOI-UHFFFAOYSA-N
MW236.29 g/mol
LogP4.22
Rot. Bonds9

About 1-[butoxy(propan-2-yl)phosphoryl]oxybutane

1-[butoxy(propan-2-yl)phosphoryl]oxybutane (PubChem CID 580343) has the molecular formula C11H25O3P and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-[butoxy(propan-2-yl)phosphoryl]oxybutane.

Molecular Properties

Compound Name1-[butoxy(propan-2-yl)phosphoryl]oxybutane
PubChem CID580343
Molecular FormulaC11H25O3P
Molecular Weight236.29 g/mol
Exact Mass236.15
IUPAC Name1-[butoxy(propan-2-yl)phosphoryl]oxybutane
SMILESCCCCOP(=O)(OCCCC)C(C)C
InChIInChI=1S/C11H25O3P/c1-5-7-9-13-15(12,11(3)4)14-10-8-6-2/h11H,5-10H2,1-4H3
InChIKeyVKCOKGXTJTZOOI-UHFFFAOYSA-N
XLogP4.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 54.22
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

dibutoxyphosphorylmethanediol
CID 87672065
1,1-bis(dibutoxyphosphoryl)-N,N-dimethylmethanamine
CID 14512426
2-amino-1-dibutoxyphosphoryl-4-methylpentan-1-ol
CID 85265774
dibutyl phosphate;tetramethylphosphanium
CID 87474476
terbium;tributyl phosphate
CID 90187591
europium;tributyl phosphate
CID 90187569
tributyl phosphate;trihydrochloride
CID 173157313
ethyl 3-dibutoxyphosphorylbutanoate
CID 172832682
1-[[methoxy(propan-2-yl)phosphoryl]oxy-propan-2-ylphosphoryl]oxypropane
CID 586976
dibutyl hydrogen phosphate
CID 158586372
1-[butoxy((114C)methyl)(14C)phosphoryl]oxybutane
CID 12777600
aluminum tris(pentoxy(propan-2-yl)phosphinate)
CID 160665001

Frequently Asked Questions

What is the IUPAC name of 1-[butoxy(propan-2-yl)phosphoryl]oxybutane?
The IUPAC name of 1-[butoxy(propan-2-yl)phosphoryl]oxybutane (CID 580343) is 1-[butoxy(propan-2-yl)phosphoryl]oxybutane.
What is the SMILES notation for 1-[butoxy(propan-2-yl)phosphoryl]oxybutane?
The canonical SMILES for 1-[butoxy(propan-2-yl)phosphoryl]oxybutane is CCCCOP(=O)(OCCCC)C(C)C.
What is the InChIKey of 1-[butoxy(propan-2-yl)phosphoryl]oxybutane?
The InChIKey is VKCOKGXTJTZOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25O3P/c1-5-7-9-13-15(12,11(3)4)14-10-8-6-2/h11H,5-10H2,1-4H3.
What are the key properties of 1-[butoxy(propan-2-yl)phosphoryl]oxybutane?
1-[butoxy(propan-2-yl)phosphoryl]oxybutane has a molecular weight of 236.29 g/mol, XLogP of 4.22, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butoxy(propan-2-yl)phosphoryl]oxybutane is sourced from PubChem (CID 580343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).