(2S)-1-dimethylphosphoryloxy-2-methylbutane

C7H17O2P — CID 59885980

IUPAC(2S)-1-dimethylphosphoryloxy-2-methylbutane
SMILESCC[C@H](C)COP(C)(C)=O
InChIInChI=1S/C7H17O2P/c1-5-7(2)6-9-10(3,4)8/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyXYECZHZTKGITCY-ZETCQYMHSA-N
MW164.19 g/mol
LogP2.59
Rot. Bonds4

About (2S)-1-dimethylphosphoryloxy-2-methylbutane

(2S)-1-dimethylphosphoryloxy-2-methylbutane (PubChem CID 59885980) has the molecular formula C7H17O2P and a molecular weight of 164.19 g/mol. Its IUPAC name is (2S)-1-dimethylphosphoryloxy-2-methylbutane.

Molecular Properties

Compound Name(2S)-1-dimethylphosphoryloxy-2-methylbutane
PubChem CID59885980
Molecular FormulaC7H17O2P
Molecular Weight164.19 g/mol
Exact Mass164.10
IUPAC Name(2S)-1-dimethylphosphoryloxy-2-methylbutane
SMILESCC[C@H](C)COP(C)(C)=O
InChIInChI=1S/C7H17O2P/c1-5-7(2)6-9-10(3,4)8/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyXYECZHZTKGITCY-ZETCQYMHSA-N
XLogP2.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-[methyl(2-methylbutoxy)phosphoryl]oxybutane
CID 170850967
1-dimethylphosphoryloxy-3-methylpentane
CID 154090861
fluoro(2-methylbutoxy)phosphinic acid
CID 175014700
2-hydroxybutyl 2-methylbutyl hydrogen phosphate
CID 59770810
ethyl 3-dimethylphosphoryloxy-2-methylpropanoate
CID 89491834
2-methyl-1-[methyl(2-methylpentoxy)phosphoryl]oxypentane
CID 566127
1,2,3-tris(dimethylphosphoryloxy)propane
CID 23081815
2-methyl-1-(2-methylbutoxy)butane
CID 4584641
bis(2-methylbutyl) 2,4,4-trimethylpentyl phosphate;propanal
CID 90734732
bis(2,4-dimethylhexoxy)-sulfanyl-sulfanylidene-λ5-phosphane
CID 56996091
1-[fluoro(methyl)phosphoryl]oxy-2-methylpentane
CID 567433
tris(5-methylheptyl) phosphate
CID 87189340

Frequently Asked Questions

What is the IUPAC name of (2S)-1-dimethylphosphoryloxy-2-methylbutane?
The IUPAC name of (2S)-1-dimethylphosphoryloxy-2-methylbutane (CID 59885980) is (2S)-1-dimethylphosphoryloxy-2-methylbutane.
What is the SMILES notation for (2S)-1-dimethylphosphoryloxy-2-methylbutane?
The canonical SMILES for (2S)-1-dimethylphosphoryloxy-2-methylbutane is CC[C@H](C)COP(C)(C)=O.
What is the InChIKey of (2S)-1-dimethylphosphoryloxy-2-methylbutane?
The InChIKey is XYECZHZTKGITCY-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H17O2P/c1-5-7(2)6-9-10(3,4)8/h7H,5-6H2,1-4H3/t7-/m0/s1.
What are the key properties of (2S)-1-dimethylphosphoryloxy-2-methylbutane?
(2S)-1-dimethylphosphoryloxy-2-methylbutane has a molecular weight of 164.19 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-dimethylphosphoryloxy-2-methylbutane is sourced from PubChem (CID 59885980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).