2-[di(propan-2-yloxy)phosphorylmethoxy]ethanol

C9H21O5P — CID 10444291

IUPAC2-[di(propan-2-yloxy)phosphorylmethoxy]ethanol
SMILESCC(C)OP(=O)(COCCO)OC(C)C
InChIInChI=1S/C9H21O5P/c1-8(2)13-15(11,14-9(3)4)7-12-6-5-10/h8-10H,5-7H2,1-4H3
InChIKeyFMXPJJOPNWHVBG-UHFFFAOYSA-N
MW240.24 g/mol
LogP2.00
Rot. Bonds8

About 2-[di(propan-2-yloxy)phosphorylmethoxy]ethanol

2-[di(propan-2-yloxy)phosphorylmethoxy]ethanol (PubChem CID 10444291) has the molecular formula C9H21O5P and a molecular weight of 240.24 g/mol. Its IUPAC name is 2-[di(propan-2-yloxy)phosphorylmethoxy]ethanol.

Molecular Properties

Compound Name2-[di(propan-2-yloxy)phosphorylmethoxy]ethanol
PubChem CID10444291
Molecular FormulaC9H21O5P
Molecular Weight240.24 g/mol
Exact Mass240.11
IUPAC Name2-[di(propan-2-yloxy)phosphorylmethoxy]ethanol
SMILESCC(C)OP(=O)(COCCO)OC(C)C
InChIInChI=1S/C9H21O5P/c1-8(2)13-15(11,14-9(3)4)7-12-6-5-10/h8-10H,5-7H2,1-4H3
InChIKeyFMXPJJOPNWHVBG-UHFFFAOYSA-N
XLogP2.00
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[di(propan-2-yloxy)phosphorylmethoxy]ethanol?
The IUPAC name of 2-[di(propan-2-yloxy)phosphorylmethoxy]ethanol (CID 10444291) is 2-[di(propan-2-yloxy)phosphorylmethoxy]ethanol.
What is the SMILES notation for 2-[di(propan-2-yloxy)phosphorylmethoxy]ethanol?
The canonical SMILES for 2-[di(propan-2-yloxy)phosphorylmethoxy]ethanol is CC(C)OP(=O)(COCCO)OC(C)C.
What is the InChIKey of 2-[di(propan-2-yloxy)phosphorylmethoxy]ethanol?
The InChIKey is FMXPJJOPNWHVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21O5P/c1-8(2)13-15(11,14-9(3)4)7-12-6-5-10/h8-10H,5-7H2,1-4H3.
What are the key properties of 2-[di(propan-2-yloxy)phosphorylmethoxy]ethanol?
2-[di(propan-2-yloxy)phosphorylmethoxy]ethanol has a molecular weight of 240.24 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(propan-2-yloxy)phosphorylmethoxy]ethanol is sourced from PubChem (CID 10444291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).