(2-methyl-2-phenylpropyl) hydrogen selenate

C10H14O4Se — CID 174978550

IUPAC(2-methyl-2-phenylpropyl) hydrogen selenate
SMILESCC(C)(CO[Se](=O)(=O)O)c1ccccc1
InChIInChI=1S/C10H14O4Se/c1-10(2,8-14-15(11,12)13)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,11,12,13)
InChIKeyIHQZZQVRWFDLRY-UHFFFAOYSA-N
MW277.18 g/mol
LogP1.27
Rot. Bonds4

About (2-methyl-2-phenylpropyl) hydrogen selenate

(2-methyl-2-phenylpropyl) hydrogen selenate (PubChem CID 174978550) has the molecular formula C10H14O4Se and a molecular weight of 277.18 g/mol. Its IUPAC name is (2-methyl-2-phenylpropyl) hydrogen selenate.

Molecular Properties

Compound Name(2-methyl-2-phenylpropyl) hydrogen selenate
PubChem CID174978550
Molecular FormulaC10H14O4Se
Molecular Weight277.18 g/mol
Exact Mass278.01
IUPAC Name(2-methyl-2-phenylpropyl) hydrogen selenate
SMILESCC(C)(CO[Se](=O)(=O)O)c1ccccc1
InChIInChI=1S/C10H14O4Se/c1-10(2,8-14-15(11,12)13)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,11,12,13)
InChIKeyIHQZZQVRWFDLRY-UHFFFAOYSA-N
XLogP1.27
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.18
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-methyl-2-phenylpropyl) hydrogen carbonate
CID 150979314
aluminum;(2-methyl-2-phenylpropyl) acetate;trichloride
CID 68741763
(2-methyl-2-phenylpropyl) prop-2-enoate
CID 141318899
(2-methyl-1-phosphorosooxypropan-2-yl)benzene
CID 175140149
1-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-3-phenylpropane-1,3-dione
CID 163212628
(2-methyl-2-phenylpropyl) 3-methylbenzoate
CID 175010549
λ2-stannane;(2-methyl-2-phenylpropyl) 5-bromofuran-2-carboxylate
CID 175022019
methyl 2-amino-2,4-dimethyl-4-phenylpentanoate
CID 14899524
(1,4-dimethoxy-2,3-dimethyl-3-phenylbutan-2-yl)benzene
CID 131848966
formic acid;2-methylbutan-2-ylbenzene
CID 158175832
methyl 2-[(1-methoxy-2,4-dimethyl-1-oxo-4-phenylpentan-2-yl)diazenyl]-2,4-dimethyl-4-phenylpentanoate
CID 14899540
4-methyl-4-phenylpentaneperoxoic acid
CID 54384319

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2-phenylpropyl) hydrogen selenate?
The IUPAC name of (2-methyl-2-phenylpropyl) hydrogen selenate (CID 174978550) is (2-methyl-2-phenylpropyl) hydrogen selenate.
What is the SMILES notation for (2-methyl-2-phenylpropyl) hydrogen selenate?
The canonical SMILES for (2-methyl-2-phenylpropyl) hydrogen selenate is CC(C)(CO[Se](=O)(=O)O)c1ccccc1.
What is the InChIKey of (2-methyl-2-phenylpropyl) hydrogen selenate?
The InChIKey is IHQZZQVRWFDLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4Se/c1-10(2,8-14-15(11,12)13)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,11,12,13).
What are the key properties of (2-methyl-2-phenylpropyl) hydrogen selenate?
(2-methyl-2-phenylpropyl) hydrogen selenate has a molecular weight of 277.18 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2-phenylpropyl) hydrogen selenate is sourced from PubChem (CID 174978550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).