hydroxy-methoxy-oxophosphanium;3-methoxy-2,3-dimethylbutan-2-ol

C8H20O5P+ — CID 175329142

IUPAChydroxy-methoxy-oxophosphanium;3-methoxy-2,3-dimethylbutan-2-ol
SMILESCOC(C)(C)C(C)(C)O.CO[P+](=O)O
InChIInChI=1S/C7H16O2.CH3O3P/c1-6(2,8)7(3,4)9-5;1-4-5(2)3/h8H,1-5H3;1H3/p+1
InChIKeyIENRQPMAZAAARE-UHFFFAOYSA-O
MW227.22 g/mol
LogP1.46
Rot. Bonds3

About hydroxy-methoxy-oxophosphanium;3-methoxy-2,3-dimethylbutan-2-ol

hydroxy-methoxy-oxophosphanium;3-methoxy-2,3-dimethylbutan-2-ol (PubChem CID 175329142) has the molecular formula C8H20O5P+ and a molecular weight of 227.22 g/mol. Its IUPAC name is hydroxy-methoxy-oxophosphanium;3-methoxy-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Namehydroxy-methoxy-oxophosphanium;3-methoxy-2,3-dimethylbutan-2-ol
PubChem CID175329142
Molecular FormulaC8H20O5P+
Molecular Weight227.22 g/mol
Exact Mass227.10
IUPAC Namehydroxy-methoxy-oxophosphanium;3-methoxy-2,3-dimethylbutan-2-ol
SMILESCOC(C)(C)C(C)(C)O.CO[P+](=O)O
InChIInChI=1S/C7H16O2.CH3O3P/c1-6(2,8)7(3,4)9-5;1-4-5(2)3/h8H,1-5H3;1H3/p+1
InChIKeyIENRQPMAZAAARE-UHFFFAOYSA-O
XLogP1.46
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
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 hydroxy-methoxy-oxophosphanium;3-methoxy-2,3-dimethylbutan-2-ol?
The IUPAC name of hydroxy-methoxy-oxophosphanium;3-methoxy-2,3-dimethylbutan-2-ol (CID 175329142) is hydroxy-methoxy-oxophosphanium;3-methoxy-2,3-dimethylbutan-2-ol.
What is the SMILES notation for hydroxy-methoxy-oxophosphanium;3-methoxy-2,3-dimethylbutan-2-ol?
The canonical SMILES for hydroxy-methoxy-oxophosphanium;3-methoxy-2,3-dimethylbutan-2-ol is COC(C)(C)C(C)(C)O.CO[P+](=O)O.
What is the InChIKey of hydroxy-methoxy-oxophosphanium;3-methoxy-2,3-dimethylbutan-2-ol?
The InChIKey is IENRQPMAZAAARE-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H16O2.CH3O3P/c1-6(2,8)7(3,4)9-5;1-4-5(2)3/h8H,1-5H3;1H3/p+1.
What are the key properties of hydroxy-methoxy-oxophosphanium;3-methoxy-2,3-dimethylbutan-2-ol?
hydroxy-methoxy-oxophosphanium;3-methoxy-2,3-dimethylbutan-2-ol has a molecular weight of 227.22 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-methoxy-oxophosphanium;3-methoxy-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 175329142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).