di(propan-2-yloxy)phosphorylmethanol

C7H17O4P — CID 10867235

IUPACdi(propan-2-yloxy)phosphorylmethanol
SMILESCC(C)OP(=O)(CO)OC(C)C
InChIInChI=1S/C7H17O4P/c1-6(2)10-12(9,5-8)11-7(3)4/h6-8H,5H2,1-4H3
InChIKeyUAXIBJPHBMEGSP-UHFFFAOYSA-N
MW196.18 g/mol
LogP1.98
Rot. Bonds5

About di(propan-2-yloxy)phosphorylmethanol

di(propan-2-yloxy)phosphorylmethanol (PubChem CID 10867235) has the molecular formula C7H17O4P and a molecular weight of 196.18 g/mol. Its IUPAC name is di(propan-2-yloxy)phosphorylmethanol.

Molecular Properties

Compound Namedi(propan-2-yloxy)phosphorylmethanol
PubChem CID10867235
Molecular FormulaC7H17O4P
Molecular Weight196.18 g/mol
Exact Mass196.09
IUPAC Namedi(propan-2-yloxy)phosphorylmethanol
SMILESCC(C)OP(=O)(CO)OC(C)C
InChIInChI=1S/C7H17O4P/c1-6(2)10-12(9,5-8)11-7(3)4/h6-8H,5H2,1-4H3
InChIKeyUAXIBJPHBMEGSP-UHFFFAOYSA-N
XLogP1.98
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of di(propan-2-yloxy)phosphorylmethanol?
The IUPAC name of di(propan-2-yloxy)phosphorylmethanol (CID 10867235) is di(propan-2-yloxy)phosphorylmethanol.
What is the SMILES notation for di(propan-2-yloxy)phosphorylmethanol?
The canonical SMILES for di(propan-2-yloxy)phosphorylmethanol is CC(C)OP(=O)(CO)OC(C)C.
What is the InChIKey of di(propan-2-yloxy)phosphorylmethanol?
The InChIKey is UAXIBJPHBMEGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O4P/c1-6(2)10-12(9,5-8)11-7(3)4/h6-8H,5H2,1-4H3.
What are the key properties of di(propan-2-yloxy)phosphorylmethanol?
di(propan-2-yloxy)phosphorylmethanol has a molecular weight of 196.18 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for di(propan-2-yloxy)phosphorylmethanol is sourced from PubChem (CID 10867235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).