(2,4-diethyl-2,4-dimethyl-5-oxohexoxy)-trihydroxyphosphanium

C12H26O5P+ — CID 88943906

IUPAC(2,4-diethyl-2,4-dimethyl-5-oxohexoxy)-trihydroxyphosphanium
SMILESCCC(C)(CO[P+](O)(O)O)CC(C)(CC)C(C)=O
InChIInChI=1S/C12H26O5P/c1-6-11(4,9-17-18(14,15)16)8-12(5,7-2)10(3)13/h14-16H,6-9H2,1-5H3/q+1
InChIKeyVXGHJOQGMXVUHX-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.47
Rot. Bonds8

About (2,4-diethyl-2,4-dimethyl-5-oxohexoxy)-trihydroxyphosphanium

(2,4-diethyl-2,4-dimethyl-5-oxohexoxy)-trihydroxyphosphanium (PubChem CID 88943906) has the molecular formula C12H26O5P+ and a molecular weight of 281.31 g/mol. Its IUPAC name is (2,4-diethyl-2,4-dimethyl-5-oxohexoxy)-trihydroxyphosphanium.

Molecular Properties

Compound Name(2,4-diethyl-2,4-dimethyl-5-oxohexoxy)-trihydroxyphosphanium
PubChem CID88943906
Molecular FormulaC12H26O5P+
Molecular Weight281.31 g/mol
Exact Mass281.15
IUPAC Name(2,4-diethyl-2,4-dimethyl-5-oxohexoxy)-trihydroxyphosphanium
SMILESCCC(C)(CO[P+](O)(O)O)CC(C)(CC)C(C)=O
InChIInChI=1S/C12H26O5P/c1-6-11(4,9-17-18(14,15)16)8-12(5,7-2)10(3)13/h14-16H,6-9H2,1-5H3/q+1
InChIKeyVXGHJOQGMXVUHX-UHFFFAOYSA-N
XLogP2.47
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-acetyl-3-(2,2-dimethylpropyl)-7-ethyl-3,5,7-trimethylnonane-2,8-dione
CID 130177463
4-ethyl-2,2,4-trimethyl-5-oxohexanoyl chloride
CID 23391468
2-(difluoromethoxymethyl)-2-methylbutanoic acid
CID 123470476
5-acetyl-3,3,5,7,7-pentamethylnonane-2,8-dione
CID 58195604
(3S)-3-ethyl-3-methylnonan-2-one
CID 177059310
3-ethyl-3-methylhex-5-yn-2-one
CID 130028478
3-methyl-3-(trimethylsilylmethyl)pentan-2-one
CID 58820876
ethyl 4-acetyl-2-ethyl-2,4,6,6-tetramethyl-7-oxooctanoate
CID 58612876
2-[(2R)-2-ethyl-2-methyl-3-oxobutyl]propanedinitrile
CID 7568193
(3R)-3-ethyl-3,6-dimethylhept-5-en-2-one
CID 118389184
(2-ethyl-2-methylhexyl) acetate
CID 90020501
3-ethyl-3,6-dimethyl-5-methylidenehept-6-en-2-one
CID 59467315

Frequently Asked Questions

What is the IUPAC name of (2,4-diethyl-2,4-dimethyl-5-oxohexoxy)-trihydroxyphosphanium?
The IUPAC name of (2,4-diethyl-2,4-dimethyl-5-oxohexoxy)-trihydroxyphosphanium (CID 88943906) is (2,4-diethyl-2,4-dimethyl-5-oxohexoxy)-trihydroxyphosphanium.
What is the SMILES notation for (2,4-diethyl-2,4-dimethyl-5-oxohexoxy)-trihydroxyphosphanium?
The canonical SMILES for (2,4-diethyl-2,4-dimethyl-5-oxohexoxy)-trihydroxyphosphanium is CCC(C)(CO[P+](O)(O)O)CC(C)(CC)C(C)=O.
What is the InChIKey of (2,4-diethyl-2,4-dimethyl-5-oxohexoxy)-trihydroxyphosphanium?
The InChIKey is VXGHJOQGMXVUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O5P/c1-6-11(4,9-17-18(14,15)16)8-12(5,7-2)10(3)13/h14-16H,6-9H2,1-5H3/q+1.
What are the key properties of (2,4-diethyl-2,4-dimethyl-5-oxohexoxy)-trihydroxyphosphanium?
(2,4-diethyl-2,4-dimethyl-5-oxohexoxy)-trihydroxyphosphanium has a molecular weight of 281.31 g/mol, XLogP of 2.47, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-diethyl-2,4-dimethyl-5-oxohexoxy)-trihydroxyphosphanium is sourced from PubChem (CID 88943906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).