(2,4-dimethyl-3-oxopentan-2-yl) dihydrogen phosphate

C7H15O5P — CID 177092698

IUPAC(2,4-dimethyl-3-oxopentan-2-yl) dihydrogen phosphate
SMILESCC(C)C(=O)C(C)(C)OP(=O)(O)O
InChIInChI=1S/C7H15O5P/c1-5(2)6(8)7(3,4)12-13(9,10)11/h5H,1-4H3,(H2,9,10,11)
InChIKeyGBCKMLNRYMEUPC-UHFFFAOYSA-N
MW210.17 g/mol
LogP1.10
Rot. Bonds4

About (2,4-dimethyl-3-oxopentan-2-yl) dihydrogen phosphate

(2,4-dimethyl-3-oxopentan-2-yl) dihydrogen phosphate (PubChem CID 177092698) has the molecular formula C7H15O5P and a molecular weight of 210.17 g/mol. Its IUPAC name is (2,4-dimethyl-3-oxopentan-2-yl) dihydrogen phosphate.

Molecular Properties

Compound Name(2,4-dimethyl-3-oxopentan-2-yl) dihydrogen phosphate
PubChem CID177092698
Molecular FormulaC7H15O5P
Molecular Weight210.17 g/mol
Exact Mass210.07
IUPAC Name(2,4-dimethyl-3-oxopentan-2-yl) dihydrogen phosphate
SMILESCC(C)C(=O)C(C)(C)OP(=O)(O)O
InChIInChI=1S/C7H15O5P/c1-5(2)6(8)7(3,4)12-13(9,10)11/h5H,1-4H3,(H2,9,10,11)
InChIKeyGBCKMLNRYMEUPC-UHFFFAOYSA-N
XLogP1.10
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.17
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroperoxy-2,4-dimethylpentan-3-one
CID 12587193
1,1,2-trichloropropyl dihydrogen phosphate
CID 3036981
(1,1,2,4,5,5-hexafluoro-3-methylpentan-3-yl) dihydrogen phosphate
CID 118090901
(3-iodo-2,2,4,4-tetramethylpentan-3-yl) dihydrogen phosphate
CID 151636564
2,4,4,5,5-pentamethylhexan-3-one
CID 12642535
(3-cyano-2,4-dimethylpentan-3-yl) dihydrogen phosphate
CID 87592486
8-methoxy-2,6,6-trimethyloctane-3,5-dione
CID 88959271
(5,8-dihydroxy-2,11-dimethyl-11-phosphonooxydodecan-2-yl) dihydrogen phosphate
CID 59659544
1,1,2-tris(dimethylamino)propyl dihydrogen phosphate
CID 175565202
[2-methyl-1,1-bis(4-propan-2-ylphenyl)propan-2-yl] dihydrogen phosphate
CID 162514629
2,3-dimethyldecan-2-yl dihydrogen phosphate
CID 19995674
(1,1,1,2,2,4,4,5,5,5-decafluoro-3-methylpentan-3-yl) dihydrogen phosphate
CID 87463098

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-3-oxopentan-2-yl) dihydrogen phosphate?
The IUPAC name of (2,4-dimethyl-3-oxopentan-2-yl) dihydrogen phosphate (CID 177092698) is (2,4-dimethyl-3-oxopentan-2-yl) dihydrogen phosphate.
What is the SMILES notation for (2,4-dimethyl-3-oxopentan-2-yl) dihydrogen phosphate?
The canonical SMILES for (2,4-dimethyl-3-oxopentan-2-yl) dihydrogen phosphate is CC(C)C(=O)C(C)(C)OP(=O)(O)O.
What is the InChIKey of (2,4-dimethyl-3-oxopentan-2-yl) dihydrogen phosphate?
The InChIKey is GBCKMLNRYMEUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O5P/c1-5(2)6(8)7(3,4)12-13(9,10)11/h5H,1-4H3,(H2,9,10,11).
What are the key properties of (2,4-dimethyl-3-oxopentan-2-yl) dihydrogen phosphate?
(2,4-dimethyl-3-oxopentan-2-yl) dihydrogen phosphate has a molecular weight of 210.17 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-3-oxopentan-2-yl) dihydrogen phosphate is sourced from PubChem (CID 177092698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).