(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanol

C6H13O4P — CID 18981617

IUPAC(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanol
SMILESCC1(C)COP(=O)(CO)OC1
InChIInChI=1S/C6H13O4P/c1-6(2)3-9-11(8,5-7)10-4-6/h7H,3-5H2,1-2H3
InChIKeyYCOZQIWDGLRCKU-UHFFFAOYSA-N
MW180.14 g/mol
LogP1.20
Rot. Bonds1

About (5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanol

(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanol (PubChem CID 18981617) has the molecular formula C6H13O4P and a molecular weight of 180.14 g/mol. Its IUPAC name is (5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanol.

Molecular Properties

Compound Name(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanol
PubChem CID18981617
Molecular FormulaC6H13O4P
Molecular Weight180.14 g/mol
Exact Mass180.06
IUPAC Name(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanol
SMILESCC1(C)COP(=O)(CO)OC1
InChIInChI=1S/C6H13O4P/c1-6(2)3-9-11(8,5-7)10-4-6/h7H,3-5H2,1-2H3
InChIKeyYCOZQIWDGLRCKU-UHFFFAOYSA-N
XLogP1.20
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
LogP ≤ 51.20
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 (5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanol?
The IUPAC name of (5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanol (CID 18981617) is (5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanol.
What is the SMILES notation for (5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanol?
The canonical SMILES for (5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanol is CC1(C)COP(=O)(CO)OC1.
What is the InChIKey of (5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanol?
The InChIKey is YCOZQIWDGLRCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O4P/c1-6(2)3-9-11(8,5-7)10-4-6/h7H,3-5H2,1-2H3.
What are the key properties of (5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanol?
(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanol has a molecular weight of 180.14 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanol is sourced from PubChem (CID 18981617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).