2,2,5,5-tetramethylhexan-3-yloxyphosphinous acid

C10H23O2P — CID 89257202

IUPAC2,2,5,5-tetramethylhexan-3-yloxyphosphinous acid
SMILESCC(C)(C)CC(OPO)C(C)(C)C
InChIInChI=1S/C10H23O2P/c1-9(2,3)7-8(12-13-11)10(4,5)6/h8,11,13H,7H2,1-6H3
InChIKeySYJFHTDSVNGMRC-UHFFFAOYSA-N
MW206.27 g/mol
LogP3.35
Rot. Bonds3

About 2,2,5,5-tetramethylhexan-3-yloxyphosphinous acid

2,2,5,5-tetramethylhexan-3-yloxyphosphinous acid (PubChem CID 89257202) has the molecular formula C10H23O2P and a molecular weight of 206.27 g/mol. Its IUPAC name is 2,2,5,5-tetramethylhexan-3-yloxyphosphinous acid.

Molecular Properties

Compound Name2,2,5,5-tetramethylhexan-3-yloxyphosphinous acid
PubChem CID89257202
Molecular FormulaC10H23O2P
Molecular Weight206.27 g/mol
Exact Mass206.14
IUPAC Name2,2,5,5-tetramethylhexan-3-yloxyphosphinous acid
SMILESCC(C)(C)CC(OPO)C(C)(C)C
InChIInChI=1S/C10H23O2P/c1-9(2,3)7-8(12-13-11)10(4,5)6/h8,11,13H,7H2,1-6H3
InChIKeySYJFHTDSVNGMRC-UHFFFAOYSA-N
XLogP3.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 53.35
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 2,2,5,5-tetramethylhexan-3-yloxyphosphinous acid?
The IUPAC name of 2,2,5,5-tetramethylhexan-3-yloxyphosphinous acid (CID 89257202) is 2,2,5,5-tetramethylhexan-3-yloxyphosphinous acid.
What is the SMILES notation for 2,2,5,5-tetramethylhexan-3-yloxyphosphinous acid?
The canonical SMILES for 2,2,5,5-tetramethylhexan-3-yloxyphosphinous acid is CC(C)(C)CC(OPO)C(C)(C)C.
What is the InChIKey of 2,2,5,5-tetramethylhexan-3-yloxyphosphinous acid?
The InChIKey is SYJFHTDSVNGMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23O2P/c1-9(2,3)7-8(12-13-11)10(4,5)6/h8,11,13H,7H2,1-6H3.
What are the key properties of 2,2,5,5-tetramethylhexan-3-yloxyphosphinous acid?
2,2,5,5-tetramethylhexan-3-yloxyphosphinous acid has a molecular weight of 206.27 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethylhexan-3-yloxyphosphinous acid is sourced from PubChem (CID 89257202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).