3-methyl-1-[methyl(3-methylbutoxy)phosphoryl]oxybutane

C11H25O3P — CID 520135

IUPAC3-methyl-1-[methyl(3-methylbutoxy)phosphoryl]oxybutane
SMILESCC(C)CCOP(C)(=O)OCCC(C)C
InChIInChI=1S/C11H25O3P/c1-10(2)6-8-13-15(5,12)14-9-7-11(3)4/h10-11H,6-9H2,1-5H3
InChIKeyYXHUEGLTOGMNPE-UHFFFAOYSA-N
MW236.29 g/mol
LogP3.93
Rot. Bonds8

About 3-methyl-1-[methyl(3-methylbutoxy)phosphoryl]oxybutane

3-methyl-1-[methyl(3-methylbutoxy)phosphoryl]oxybutane (PubChem CID 520135) has the molecular formula C11H25O3P and a molecular weight of 236.29 g/mol. Its IUPAC name is 3-methyl-1-[methyl(3-methylbutoxy)phosphoryl]oxybutane.

Molecular Properties

Compound Name3-methyl-1-[methyl(3-methylbutoxy)phosphoryl]oxybutane
PubChem CID520135
Molecular FormulaC11H25O3P
Molecular Weight236.29 g/mol
Exact Mass236.15
IUPAC Name3-methyl-1-[methyl(3-methylbutoxy)phosphoryl]oxybutane
SMILESCC(C)CCOP(C)(=O)OCCC(C)C
InChIInChI=1S/C11H25O3P/c1-10(2)6-8-13-15(5,12)14-9-7-11(3)4/h10-11H,6-9H2,1-5H3
InChIKeyYXHUEGLTOGMNPE-UHFFFAOYSA-N
XLogP3.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.93
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 3-methyl-1-[methyl(3-methylbutoxy)phosphoryl]oxybutane?
The IUPAC name of 3-methyl-1-[methyl(3-methylbutoxy)phosphoryl]oxybutane (CID 520135) is 3-methyl-1-[methyl(3-methylbutoxy)phosphoryl]oxybutane.
What is the SMILES notation for 3-methyl-1-[methyl(3-methylbutoxy)phosphoryl]oxybutane?
The canonical SMILES for 3-methyl-1-[methyl(3-methylbutoxy)phosphoryl]oxybutane is CC(C)CCOP(C)(=O)OCCC(C)C.
What is the InChIKey of 3-methyl-1-[methyl(3-methylbutoxy)phosphoryl]oxybutane?
The InChIKey is YXHUEGLTOGMNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25O3P/c1-10(2)6-8-13-15(5,12)14-9-7-11(3)4/h10-11H,6-9H2,1-5H3.
What are the key properties of 3-methyl-1-[methyl(3-methylbutoxy)phosphoryl]oxybutane?
3-methyl-1-[methyl(3-methylbutoxy)phosphoryl]oxybutane has a molecular weight of 236.29 g/mol, XLogP of 3.93, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[methyl(3-methylbutoxy)phosphoryl]oxybutane is sourced from PubChem (CID 520135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).