1-[methoxy(methyl)phosphoryl]oxy-2-methylpropane

C6H15O3P — CID 574019

IUPAC1-[methoxy(methyl)phosphoryl]oxy-2-methylpropane
SMILESCOP(C)(=O)OCC(C)C
InChIInChI=1S/C6H15O3P/c1-6(2)5-9-10(4,7)8-3/h6H,5H2,1-4H3
InChIKeyZYZQNNOYPLAWPJ-UHFFFAOYSA-N
MW166.16 g/mol
LogP2.13
Rot. Bonds4

About 1-[methoxy(methyl)phosphoryl]oxy-2-methylpropane

1-[methoxy(methyl)phosphoryl]oxy-2-methylpropane (PubChem CID 574019) has the molecular formula C6H15O3P and a molecular weight of 166.16 g/mol. Its IUPAC name is 1-[methoxy(methyl)phosphoryl]oxy-2-methylpropane.

Molecular Properties

Compound Name1-[methoxy(methyl)phosphoryl]oxy-2-methylpropane
PubChem CID574019
Molecular FormulaC6H15O3P
Molecular Weight166.16 g/mol
Exact Mass166.08
IUPAC Name1-[methoxy(methyl)phosphoryl]oxy-2-methylpropane
SMILESCOP(C)(=O)OCC(C)C
InChIInChI=1S/C6H15O3P/c1-6(2)5-9-10(4,7)8-3/h6H,5H2,1-4H3
InChIKeyZYZQNNOYPLAWPJ-UHFFFAOYSA-N
XLogP2.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.16
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Triisobutyl phosphate
CID 31355
Diethyl methylphosphonate
CID 12685
2-Methylpropyl dihydrogen phosphate
CID 75574
2-Methylpropyl Hydrogen (R)-Methylphosphonate
CID 15764431
Diisobutyl methylphosphonate
CID 566101
Phosphonic acid, dipropyl ester
CID 6327351
Butyl methylphosphinate
CID 10877172
Ethyl methyl methylphosphonate
CID 519597
Phosphonic acid, methyl-, bis(3-methylbutyl) ester
CID 520135
Dipropyl methylphosphonate
CID 566276
Phosphoric acid, mono(2-methylpropyl) ester, potassium salt (1:2)
CID 110525
Diisobutylphosphite
CID 6327151

Frequently Asked Questions

What is the IUPAC name of 1-[methoxy(methyl)phosphoryl]oxy-2-methylpropane?
The IUPAC name of 1-[methoxy(methyl)phosphoryl]oxy-2-methylpropane (CID 574019) is 1-[methoxy(methyl)phosphoryl]oxy-2-methylpropane.
What is the SMILES notation for 1-[methoxy(methyl)phosphoryl]oxy-2-methylpropane?
The canonical SMILES for 1-[methoxy(methyl)phosphoryl]oxy-2-methylpropane is COP(C)(=O)OCC(C)C.
What is the InChIKey of 1-[methoxy(methyl)phosphoryl]oxy-2-methylpropane?
The InChIKey is ZYZQNNOYPLAWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O3P/c1-6(2)5-9-10(4,7)8-3/h6H,5H2,1-4H3.
What are the key properties of 1-[methoxy(methyl)phosphoryl]oxy-2-methylpropane?
1-[methoxy(methyl)phosphoryl]oxy-2-methylpropane has a molecular weight of 166.16 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methoxy(methyl)phosphoryl]oxy-2-methylpropane is sourced from PubChem (CID 574019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).