1-dimethylphosphoryl-3-methylbutane

C7H17OP — CID 58736798

IUPAC1-dimethylphosphoryl-3-methylbutane
SMILESCC(C)CCP(C)(C)=O
InChIInChI=1S/C7H17OP/c1-7(2)5-6-9(3,4)8/h7H,5-6H2,1-4H3
InChIKeyFKTFIWGXPUXQLP-UHFFFAOYSA-N
MW148.19 g/mol
LogP2.66
Rot. Bonds3

About 1-dimethylphosphoryl-3-methylbutane

1-dimethylphosphoryl-3-methylbutane (PubChem CID 58736798) has the molecular formula C7H17OP and a molecular weight of 148.19 g/mol. Its IUPAC name is 1-dimethylphosphoryl-3-methylbutane.

Molecular Properties

Compound Name1-dimethylphosphoryl-3-methylbutane
PubChem CID58736798
Molecular FormulaC7H17OP
Molecular Weight148.19 g/mol
Exact Mass148.10
IUPAC Name1-dimethylphosphoryl-3-methylbutane
SMILESCC(C)CCP(C)(C)=O
InChIInChI=1S/C7H17OP/c1-7(2)5-6-9(3,4)8/h7H,5-6H2,1-4H3
InChIKeyFKTFIWGXPUXQLP-UHFFFAOYSA-N
XLogP2.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.19
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-difluorophosphoryl-3-methylbutane
CID 23280651
1-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]-3-methylbutane
CID 14248168
tris[[methyl(2-methylpropyl)phosphoryl]oxy]alumane
CID 176884398
1-[3-methylbutyl(propyl)phosphoryl]oxypropan-2-ol
CID 155472796
[(3R)-3-amino-5-methylhexyl]-methylphosphinic acid
CID 178163308
4-dimethylphosphorylbutylhydrazine
CID 10103477
1-dimethylphosphoryl-4-methylpentan-2-one
CID 20584312
trimethyl-[methyl(3-methylbutoxy)phosphoryl]oxysilane
CID 91752262
3-methyl-N-[methyl(3-methylbutoxy)phosphoryl]butan-1-amine
CID 148613615
4-dimethylphosphoryl-N-hydroxy-N-propan-2-ylbutanamide
CID 142080859
5-methylhex-1-en-2-ylphosphane
CID 143105119
sodium methyl(2-methylpropyl)phosphinate
CID 141477458

Frequently Asked Questions

What is the IUPAC name of 1-dimethylphosphoryl-3-methylbutane?
The IUPAC name of 1-dimethylphosphoryl-3-methylbutane (CID 58736798) is 1-dimethylphosphoryl-3-methylbutane.
What is the SMILES notation for 1-dimethylphosphoryl-3-methylbutane?
The canonical SMILES for 1-dimethylphosphoryl-3-methylbutane is CC(C)CCP(C)(C)=O.
What is the InChIKey of 1-dimethylphosphoryl-3-methylbutane?
The InChIKey is FKTFIWGXPUXQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17OP/c1-7(2)5-6-9(3,4)8/h7H,5-6H2,1-4H3.
What are the key properties of 1-dimethylphosphoryl-3-methylbutane?
1-dimethylphosphoryl-3-methylbutane has a molecular weight of 148.19 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethylphosphoryl-3-methylbutane is sourced from PubChem (CID 58736798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).