3-[methoxy(methyl)phosphoryl]oxy-2,3-dimethylbutan-2-ol

C8H19O4P — CID 102321332

IUPAC3-[methoxy(methyl)phosphoryl]oxy-2,3-dimethylbutan-2-ol
SMILESCOP(C)(=O)OC(C)(C)C(C)(C)O
InChIInChI=1S/C8H19O4P/c1-7(2,9)8(3,4)12-13(6,10)11-5/h9H,1-6H3
InChIKeyAILRNTDIKFWOFN-UHFFFAOYSA-N
MW210.21 g/mol
LogP2.02
Rot. Bonds4

About 3-[methoxy(methyl)phosphoryl]oxy-2,3-dimethylbutan-2-ol

3-[methoxy(methyl)phosphoryl]oxy-2,3-dimethylbutan-2-ol (PubChem CID 102321332) has the molecular formula C8H19O4P and a molecular weight of 210.21 g/mol. Its IUPAC name is 3-[methoxy(methyl)phosphoryl]oxy-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-[methoxy(methyl)phosphoryl]oxy-2,3-dimethylbutan-2-ol
PubChem CID102321332
Molecular FormulaC8H19O4P
Molecular Weight210.21 g/mol
Exact Mass210.10
IUPAC Name3-[methoxy(methyl)phosphoryl]oxy-2,3-dimethylbutan-2-ol
SMILESCOP(C)(=O)OC(C)(C)C(C)(C)O
InChIInChI=1S/C8H19O4P/c1-7(2,9)8(3,4)12-13(6,10)11-5/h9H,1-6H3
InChIKeyAILRNTDIKFWOFN-UHFFFAOYSA-N
XLogP2.02
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 52.02
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 3-[methoxy(methyl)phosphoryl]oxy-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-[methoxy(methyl)phosphoryl]oxy-2,3-dimethylbutan-2-ol (CID 102321332) is 3-[methoxy(methyl)phosphoryl]oxy-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-[methoxy(methyl)phosphoryl]oxy-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-[methoxy(methyl)phosphoryl]oxy-2,3-dimethylbutan-2-ol is COP(C)(=O)OC(C)(C)C(C)(C)O.
What is the InChIKey of 3-[methoxy(methyl)phosphoryl]oxy-2,3-dimethylbutan-2-ol?
The InChIKey is AILRNTDIKFWOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O4P/c1-7(2,9)8(3,4)12-13(6,10)11-5/h9H,1-6H3.
What are the key properties of 3-[methoxy(methyl)phosphoryl]oxy-2,3-dimethylbutan-2-ol?
3-[methoxy(methyl)phosphoryl]oxy-2,3-dimethylbutan-2-ol has a molecular weight of 210.21 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methoxy(methyl)phosphoryl]oxy-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 102321332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).