3-methoxy-2,2-dimethylpropan-1-ol;phosphorous acid

C6H17O5P — CID 87707979

IUPAC3-methoxy-2,2-dimethylpropan-1-ol;phosphorous acid
SMILESCOCC(C)(C)CO.OP(O)O
InChIInChI=1S/C6H14O2.H3O3P/c1-6(2,4-7)5-8-3;1-4(2)3/h7H,4-5H2,1-3H3;1-3H
InChIKeyUYDQYNSECXLFMI-UHFFFAOYSA-N
MW200.17 g/mol
LogP-0.16
Rot. Bonds3

About 3-methoxy-2,2-dimethylpropan-1-ol;phosphorous acid

3-methoxy-2,2-dimethylpropan-1-ol;phosphorous acid (PubChem CID 87707979) has the molecular formula C6H17O5P and a molecular weight of 200.17 g/mol. Its IUPAC name is 3-methoxy-2,2-dimethylpropan-1-ol;phosphorous acid.

Molecular Properties

Compound Name3-methoxy-2,2-dimethylpropan-1-ol;phosphorous acid
PubChem CID87707979
Molecular FormulaC6H17O5P
Molecular Weight200.17 g/mol
Exact Mass200.08
IUPAC Name3-methoxy-2,2-dimethylpropan-1-ol;phosphorous acid
SMILESCOCC(C)(C)CO.OP(O)O
InChIInChI=1S/C6H14O2.H3O3P/c1-6(2,4-7)5-8-3;1-4(2)3/h7H,4-5H2,1-3H3;1-3H
InChIKeyUYDQYNSECXLFMI-UHFFFAOYSA-N
XLogP-0.16
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.17
LogP ≤ 5-0.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-2,2-dimethylpropan-1-ol;phosphorous acid?
The IUPAC name of 3-methoxy-2,2-dimethylpropan-1-ol;phosphorous acid (CID 87707979) is 3-methoxy-2,2-dimethylpropan-1-ol;phosphorous acid.
What is the SMILES notation for 3-methoxy-2,2-dimethylpropan-1-ol;phosphorous acid?
The canonical SMILES for 3-methoxy-2,2-dimethylpropan-1-ol;phosphorous acid is COCC(C)(C)CO.OP(O)O.
What is the InChIKey of 3-methoxy-2,2-dimethylpropan-1-ol;phosphorous acid?
The InChIKey is UYDQYNSECXLFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.H3O3P/c1-6(2,4-7)5-8-3;1-4(2)3/h7H,4-5H2,1-3H3;1-3H.
What are the key properties of 3-methoxy-2,2-dimethylpropan-1-ol;phosphorous acid?
3-methoxy-2,2-dimethylpropan-1-ol;phosphorous acid has a molecular weight of 200.17 g/mol, XLogP of -0.16, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,2-dimethylpropan-1-ol;phosphorous acid is sourced from PubChem (CID 87707979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).