2,4,4-trimethyl-2-(phosphanylmethoxy)hexan-3-one

C10H21O2P — CID 130387545

IUPAC2,4,4-trimethyl-2-(phosphanylmethoxy)hexan-3-one
SMILESCCC(C)(C)C(=O)C(C)(C)OCP
InChIInChI=1S/C10H21O2P/c1-6-9(2,3)8(11)10(4,5)12-7-13/h6-7,13H2,1-5H3
InChIKeyIRNQKAREFCFMCU-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.62
Rot. Bonds5

About 2,4,4-trimethyl-2-(phosphanylmethoxy)hexan-3-one

2,4,4-trimethyl-2-(phosphanylmethoxy)hexan-3-one (PubChem CID 130387545) has the molecular formula C10H21O2P and a molecular weight of 204.25 g/mol. Its IUPAC name is 2,4,4-trimethyl-2-(phosphanylmethoxy)hexan-3-one.

Molecular Properties

Compound Name2,4,4-trimethyl-2-(phosphanylmethoxy)hexan-3-one
PubChem CID130387545
Molecular FormulaC10H21O2P
Molecular Weight204.25 g/mol
Exact Mass204.13
IUPAC Name2,4,4-trimethyl-2-(phosphanylmethoxy)hexan-3-one
SMILESCCC(C)(C)C(=O)C(C)(C)OCP
InChIInChI=1S/C10H21O2P/c1-6-9(2,3)8(11)10(4,5)12-7-13/h6-7,13H2,1-5H3
InChIKeyIRNQKAREFCFMCU-UHFFFAOYSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3,5,5-tetramethylheptan-4-one
CID 18520351
2,2-dimethylbutanoic acid;ethane;2-methyl-2-methylpropane;propanoic acid
CID 159487668
3,3,5,5-tetramethyloctan-4-one
CID 89362590
ethyl 2,2-dimethylbutanoate
CID 20744002
methoxymethyl 2,2-dimethylbutanoate
CID 18731138
methane;methyl 2,2-dimethylbutanoate
CID 161256043
2,2-dimethylbutaneperoxoate
CID 171460044
2,2-dimethylbutanoic acid;methane
CID 159782886
3-methylpentan-3-yl 2,2-dimethylbutanoate
CID 22895611
iodomethyl 2,2-dimethylbutanoate
CID 14459667
copper bis(2,2-dimethylbutanoate)
CID 158983078
carbanide;2,2-dimethylbutanoic acid;yttrium
CID 58937622

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-2-(phosphanylmethoxy)hexan-3-one?
The IUPAC name of 2,4,4-trimethyl-2-(phosphanylmethoxy)hexan-3-one (CID 130387545) is 2,4,4-trimethyl-2-(phosphanylmethoxy)hexan-3-one.
What is the SMILES notation for 2,4,4-trimethyl-2-(phosphanylmethoxy)hexan-3-one?
The canonical SMILES for 2,4,4-trimethyl-2-(phosphanylmethoxy)hexan-3-one is CCC(C)(C)C(=O)C(C)(C)OCP.
What is the InChIKey of 2,4,4-trimethyl-2-(phosphanylmethoxy)hexan-3-one?
The InChIKey is IRNQKAREFCFMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O2P/c1-6-9(2,3)8(11)10(4,5)12-7-13/h6-7,13H2,1-5H3.
What are the key properties of 2,4,4-trimethyl-2-(phosphanylmethoxy)hexan-3-one?
2,4,4-trimethyl-2-(phosphanylmethoxy)hexan-3-one has a molecular weight of 204.25 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-2-(phosphanylmethoxy)hexan-3-one is sourced from PubChem (CID 130387545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).