2-methyl-1-[methyl(2-methylpropoxy)phosphoryl]oxypropane

C9H21O3P — CID 566101

IUPAC2-methyl-1-[methyl(2-methylpropoxy)phosphoryl]oxypropane
SMILESCC(C)COP(C)(=O)OCC(C)C
InChIInChI=1S/C9H21O3P/c1-8(2)6-11-13(5,10)12-7-9(3)4/h8-9H,6-7H2,1-5H3
InChIKeyIGNFYWATZHBYFJ-UHFFFAOYSA-N
MW208.24 g/mol
LogP3.15
Rot. Bonds6

About 2-methyl-1-[methyl(2-methylpropoxy)phosphoryl]oxypropane

2-methyl-1-[methyl(2-methylpropoxy)phosphoryl]oxypropane (PubChem CID 566101) has the molecular formula C9H21O3P and a molecular weight of 208.24 g/mol. Its IUPAC name is 2-methyl-1-[methyl(2-methylpropoxy)phosphoryl]oxypropane.

Molecular Properties

Compound Name2-methyl-1-[methyl(2-methylpropoxy)phosphoryl]oxypropane
PubChem CID566101
Molecular FormulaC9H21O3P
Molecular Weight208.24 g/mol
Exact Mass208.12
IUPAC Name2-methyl-1-[methyl(2-methylpropoxy)phosphoryl]oxypropane
SMILESCC(C)COP(C)(=O)OCC(C)C
InChIInChI=1S/C9H21O3P/c1-8(2)6-11-13(5,10)12-7-9(3)4/h8-9H,6-7H2,1-5H3
InChIKeyIGNFYWATZHBYFJ-UHFFFAOYSA-N
XLogP3.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 53.15
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 2-methyl-1-[methyl(2-methylpropoxy)phosphoryl]oxypropane?
The IUPAC name of 2-methyl-1-[methyl(2-methylpropoxy)phosphoryl]oxypropane (CID 566101) is 2-methyl-1-[methyl(2-methylpropoxy)phosphoryl]oxypropane.
What is the SMILES notation for 2-methyl-1-[methyl(2-methylpropoxy)phosphoryl]oxypropane?
The canonical SMILES for 2-methyl-1-[methyl(2-methylpropoxy)phosphoryl]oxypropane is CC(C)COP(C)(=O)OCC(C)C.
What is the InChIKey of 2-methyl-1-[methyl(2-methylpropoxy)phosphoryl]oxypropane?
The InChIKey is IGNFYWATZHBYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21O3P/c1-8(2)6-11-13(5,10)12-7-9(3)4/h8-9H,6-7H2,1-5H3.
What are the key properties of 2-methyl-1-[methyl(2-methylpropoxy)phosphoryl]oxypropane?
2-methyl-1-[methyl(2-methylpropoxy)phosphoryl]oxypropane has a molecular weight of 208.24 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl(2-methylpropoxy)phosphoryl]oxypropane is sourced from PubChem (CID 566101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).