1-di(propan-2-yloxy)phosphanylethane-1,2-diol

C8H19O4P — CID 145330650

IUPAC1-di(propan-2-yloxy)phosphanylethane-1,2-diol
SMILESCC(C)OP(OC(C)C)C(O)CO
InChIInChI=1S/C8H19O4P/c1-6(2)11-13(8(10)5-9)12-7(3)4/h6-10H,5H2,1-4H3
InChIKeyDAAUJMTXBIETAF-UHFFFAOYSA-N
MW210.21 g/mol
LogP1.46
Rot. Bonds6

About 1-di(propan-2-yloxy)phosphanylethane-1,2-diol

1-di(propan-2-yloxy)phosphanylethane-1,2-diol (PubChem CID 145330650) has the molecular formula C8H19O4P and a molecular weight of 210.21 g/mol. Its IUPAC name is 1-di(propan-2-yloxy)phosphanylethane-1,2-diol.

Molecular Properties

Compound Name1-di(propan-2-yloxy)phosphanylethane-1,2-diol
PubChem CID145330650
Molecular FormulaC8H19O4P
Molecular Weight210.21 g/mol
Exact Mass210.10
IUPAC Name1-di(propan-2-yloxy)phosphanylethane-1,2-diol
SMILESCC(C)OP(OC(C)C)C(O)CO
InChIInChI=1S/C8H19O4P/c1-6(2)11-13(8(10)5-9)12-7(3)4/h6-10H,5H2,1-4H3
InChIKeyDAAUJMTXBIETAF-UHFFFAOYSA-N
XLogP1.46
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 51.46
H-Bond Donors ≤ 52
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 1-di(propan-2-yloxy)phosphanylethane-1,2-diol?
The IUPAC name of 1-di(propan-2-yloxy)phosphanylethane-1,2-diol (CID 145330650) is 1-di(propan-2-yloxy)phosphanylethane-1,2-diol.
What is the SMILES notation for 1-di(propan-2-yloxy)phosphanylethane-1,2-diol?
The canonical SMILES for 1-di(propan-2-yloxy)phosphanylethane-1,2-diol is CC(C)OP(OC(C)C)C(O)CO.
What is the InChIKey of 1-di(propan-2-yloxy)phosphanylethane-1,2-diol?
The InChIKey is DAAUJMTXBIETAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O4P/c1-6(2)11-13(8(10)5-9)12-7(3)4/h6-10H,5H2,1-4H3.
What are the key properties of 1-di(propan-2-yloxy)phosphanylethane-1,2-diol?
1-di(propan-2-yloxy)phosphanylethane-1,2-diol has a molecular weight of 210.21 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-di(propan-2-yloxy)phosphanylethane-1,2-diol is sourced from PubChem (CID 145330650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).