(2,6-ditert-butyl-1,3-diphosphinin-4-yl)methanol

C13H22OP2 — CID 15188648

IUPAC(2,6-ditert-butyl-1,3-diphosphinin-4-yl)methanol
SMILESCC(C)(C)c1cc(CO)pc(C(C)(C)C)p1
InChIInChI=1S/C13H22OP2/c1-12(2,3)10-7-9(8-14)15-11(16-10)13(4,5)6/h7,14H,8H2,1-6H3
InChIKeyILXFEEPUBIDCDP-UHFFFAOYSA-N
MW256.27 g/mol
LogP4.93
Rot. Bonds1

About (2,6-ditert-butyl-1,3-diphosphinin-4-yl)methanol

(2,6-ditert-butyl-1,3-diphosphinin-4-yl)methanol (PubChem CID 15188648) has the molecular formula C13H22OP2 and a molecular weight of 256.27 g/mol. Its IUPAC name is (2,6-ditert-butyl-1,3-diphosphinin-4-yl)methanol.

Molecular Properties

Compound Name(2,6-ditert-butyl-1,3-diphosphinin-4-yl)methanol
PubChem CID15188648
Molecular FormulaC13H22OP2
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name(2,6-ditert-butyl-1,3-diphosphinin-4-yl)methanol
SMILESCC(C)(C)c1cc(CO)pc(C(C)(C)C)p1
InChIInChI=1S/C13H22OP2/c1-12(2,3)10-7-9(8-14)15-11(16-10)13(4,5)6/h7,14H,8H2,1-6H3
InChIKeyILXFEEPUBIDCDP-UHFFFAOYSA-N
XLogP4.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,6-ditert-butyl-1,3-diphosphinin-4-yl)methanol?
The IUPAC name of (2,6-ditert-butyl-1,3-diphosphinin-4-yl)methanol (CID 15188648) is (2,6-ditert-butyl-1,3-diphosphinin-4-yl)methanol.
What is the SMILES notation for (2,6-ditert-butyl-1,3-diphosphinin-4-yl)methanol?
The canonical SMILES for (2,6-ditert-butyl-1,3-diphosphinin-4-yl)methanol is CC(C)(C)c1cc(CO)pc(C(C)(C)C)p1.
What is the InChIKey of (2,6-ditert-butyl-1,3-diphosphinin-4-yl)methanol?
The InChIKey is ILXFEEPUBIDCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22OP2/c1-12(2,3)10-7-9(8-14)15-11(16-10)13(4,5)6/h7,14H,8H2,1-6H3.
What are the key properties of (2,6-ditert-butyl-1,3-diphosphinin-4-yl)methanol?
(2,6-ditert-butyl-1,3-diphosphinin-4-yl)methanol has a molecular weight of 256.27 g/mol, XLogP of 4.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-ditert-butyl-1,3-diphosphinin-4-yl)methanol is sourced from PubChem (CID 15188648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).