2,2-dimethylpropoxy-hydroxy-methyl-methylidene-λ5-phosphane

C7H17O2P — CID 165051197

IUPAC2,2-dimethylpropoxy-hydroxy-methyl-methylidene-λ5-phosphane
SMILESC=P(C)(O)OCC(C)(C)C
InChIInChI=1S/C7H17O2P/c1-7(2,3)6-9-10(4,5)8/h8H,4,6H2,1-3,5H3
InChIKeyJTLWFXIJTKLBGK-UHFFFAOYSA-N
MW164.18 g/mol
LogP1.95
Rot. Bonds2

About 2,2-dimethylpropoxy-hydroxy-methyl-methylidene-λ5-phosphane

2,2-dimethylpropoxy-hydroxy-methyl-methylidene-λ5-phosphane (PubChem CID 165051197) has the molecular formula C7H17O2P and a molecular weight of 164.18 g/mol. Its IUPAC name is 2,2-dimethylpropoxy-hydroxy-methyl-methylidene-λ5-phosphane.

Molecular Properties

Compound Name2,2-dimethylpropoxy-hydroxy-methyl-methylidene-λ5-phosphane
PubChem CID165051197
Molecular FormulaC7H17O2P
Molecular Weight164.18 g/mol
Exact Mass164.10
IUPAC Name2,2-dimethylpropoxy-hydroxy-methyl-methylidene-λ5-phosphane
SMILESC=P(C)(O)OCC(C)(C)C
InChIInChI=1S/C7H17O2P/c1-7(2,3)6-9-10(4,5)8/h8H,4,6H2,1-3,5H3
InChIKeyJTLWFXIJTKLBGK-UHFFFAOYSA-N
XLogP1.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropoxy-hydroxy-methyl-methylidene-λ5-phosphane?
The IUPAC name of 2,2-dimethylpropoxy-hydroxy-methyl-methylidene-λ5-phosphane (CID 165051197) is 2,2-dimethylpropoxy-hydroxy-methyl-methylidene-λ5-phosphane.
What is the SMILES notation for 2,2-dimethylpropoxy-hydroxy-methyl-methylidene-λ5-phosphane?
The canonical SMILES for 2,2-dimethylpropoxy-hydroxy-methyl-methylidene-λ5-phosphane is C=P(C)(O)OCC(C)(C)C.
What is the InChIKey of 2,2-dimethylpropoxy-hydroxy-methyl-methylidene-λ5-phosphane?
The InChIKey is JTLWFXIJTKLBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O2P/c1-7(2,3)6-9-10(4,5)8/h8H,4,6H2,1-3,5H3.
What are the key properties of 2,2-dimethylpropoxy-hydroxy-methyl-methylidene-λ5-phosphane?
2,2-dimethylpropoxy-hydroxy-methyl-methylidene-λ5-phosphane has a molecular weight of 164.18 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropoxy-hydroxy-methyl-methylidene-λ5-phosphane is sourced from PubChem (CID 165051197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).