(2R,4R)-2-methoxy-5,5-dimethyl-4-propan-2-yl-1,3,2-dioxaphosphinane

C9H19O3P — CID 23414648

IUPAC(2R,4R)-2-methoxy-5,5-dimethyl-4-propan-2-yl-1,3,2-dioxaphosphinane
SMILESCO[P@]1OCC(C)(C)[C@@H](C(C)C)O1
InChIInChI=1S/C9H19O3P/c1-7(2)8-9(3,4)6-11-13(10-5)12-8/h7-8H,6H2,1-5H3/t8-,13-/m1/s1
InChIKeyWYLFRUVGWLVNTH-AMIZOPFISA-N
MW206.22 g/mol
LogP2.96
Rot. Bonds2

About (2R,4R)-2-methoxy-5,5-dimethyl-4-propan-2-yl-1,3,2-dioxaphosphinane

(2R,4R)-2-methoxy-5,5-dimethyl-4-propan-2-yl-1,3,2-dioxaphosphinane (PubChem CID 23414648) has the molecular formula C9H19O3P and a molecular weight of 206.22 g/mol. Its IUPAC name is (2R,4R)-2-methoxy-5,5-dimethyl-4-propan-2-yl-1,3,2-dioxaphosphinane.

Molecular Properties

Compound Name(2R,4R)-2-methoxy-5,5-dimethyl-4-propan-2-yl-1,3,2-dioxaphosphinane
PubChem CID23414648
Molecular FormulaC9H19O3P
Molecular Weight206.22 g/mol
Exact Mass206.11
IUPAC Name(2R,4R)-2-methoxy-5,5-dimethyl-4-propan-2-yl-1,3,2-dioxaphosphinane
SMILESCO[P@]1OCC(C)(C)[C@@H](C(C)C)O1
InChIInChI=1S/C9H19O3P/c1-7(2)8-9(3,4)6-11-13(10-5)12-8/h7-8H,6H2,1-5H3/t8-,13-/m1/s1
InChIKeyWYLFRUVGWLVNTH-AMIZOPFISA-N
XLogP2.96
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-methoxy-5,5-dimethyl-4-propan-2-yl-1,3,2-dioxaphosphinane?
The IUPAC name of (2R,4R)-2-methoxy-5,5-dimethyl-4-propan-2-yl-1,3,2-dioxaphosphinane (CID 23414648) is (2R,4R)-2-methoxy-5,5-dimethyl-4-propan-2-yl-1,3,2-dioxaphosphinane.
What is the SMILES notation for (2R,4R)-2-methoxy-5,5-dimethyl-4-propan-2-yl-1,3,2-dioxaphosphinane?
The canonical SMILES for (2R,4R)-2-methoxy-5,5-dimethyl-4-propan-2-yl-1,3,2-dioxaphosphinane is CO[P@]1OCC(C)(C)[C@@H](C(C)C)O1.
What is the InChIKey of (2R,4R)-2-methoxy-5,5-dimethyl-4-propan-2-yl-1,3,2-dioxaphosphinane?
The InChIKey is WYLFRUVGWLVNTH-AMIZOPFISA-N. The full InChI is InChI=1S/C9H19O3P/c1-7(2)8-9(3,4)6-11-13(10-5)12-8/h7-8H,6H2,1-5H3/t8-,13-/m1/s1.
What are the key properties of (2R,4R)-2-methoxy-5,5-dimethyl-4-propan-2-yl-1,3,2-dioxaphosphinane?
(2R,4R)-2-methoxy-5,5-dimethyl-4-propan-2-yl-1,3,2-dioxaphosphinane has a molecular weight of 206.22 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-methoxy-5,5-dimethyl-4-propan-2-yl-1,3,2-dioxaphosphinane is sourced from PubChem (CID 23414648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).