1-[ethyl(2-methylpropoxy)phosphoryl]oxy-2-methylpropane

C10H23O3P — CID 573799

IUPAC1-[ethyl(2-methylpropoxy)phosphoryl]oxy-2-methylpropane
SMILESCCP(=O)(OCC(C)C)OCC(C)C
InChIInChI=1S/C10H23O3P/c1-6-14(11,12-7-9(2)3)13-8-10(4)5/h9-10H,6-8H2,1-5H3
InChIKeyLNURTQJYYPLCNL-UHFFFAOYSA-N
MW222.26 g/mol
LogP3.54
Rot. Bonds7

About 1-[ethyl(2-methylpropoxy)phosphoryl]oxy-2-methylpropane

1-[ethyl(2-methylpropoxy)phosphoryl]oxy-2-methylpropane (PubChem CID 573799) has the molecular formula C10H23O3P and a molecular weight of 222.26 g/mol. Its IUPAC name is 1-[ethyl(2-methylpropoxy)phosphoryl]oxy-2-methylpropane.

Molecular Properties

Compound Name1-[ethyl(2-methylpropoxy)phosphoryl]oxy-2-methylpropane
PubChem CID573799
Molecular FormulaC10H23O3P
Molecular Weight222.26 g/mol
Exact Mass222.14
IUPAC Name1-[ethyl(2-methylpropoxy)phosphoryl]oxy-2-methylpropane
SMILESCCP(=O)(OCC(C)C)OCC(C)C
InChIInChI=1S/C10H23O3P/c1-6-14(11,12-7-9(2)3)13-8-10(4)5/h9-10H,6-8H2,1-5H3
InChIKeyLNURTQJYYPLCNL-UHFFFAOYSA-N
XLogP3.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 53.54
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 1-[ethyl(2-methylpropoxy)phosphoryl]oxy-2-methylpropane?
The IUPAC name of 1-[ethyl(2-methylpropoxy)phosphoryl]oxy-2-methylpropane (CID 573799) is 1-[ethyl(2-methylpropoxy)phosphoryl]oxy-2-methylpropane.
What is the SMILES notation for 1-[ethyl(2-methylpropoxy)phosphoryl]oxy-2-methylpropane?
The canonical SMILES for 1-[ethyl(2-methylpropoxy)phosphoryl]oxy-2-methylpropane is CCP(=O)(OCC(C)C)OCC(C)C.
What is the InChIKey of 1-[ethyl(2-methylpropoxy)phosphoryl]oxy-2-methylpropane?
The InChIKey is LNURTQJYYPLCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23O3P/c1-6-14(11,12-7-9(2)3)13-8-10(4)5/h9-10H,6-8H2,1-5H3.
What are the key properties of 1-[ethyl(2-methylpropoxy)phosphoryl]oxy-2-methylpropane?
1-[ethyl(2-methylpropoxy)phosphoryl]oxy-2-methylpropane has a molecular weight of 222.26 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(2-methylpropoxy)phosphoryl]oxy-2-methylpropane is sourced from PubChem (CID 573799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).