pentan-3-ylbenzene;selenic acid

C11H18O4Se — CID 175520254

IUPACpentan-3-ylbenzene;selenic acid
SMILESCCC(CC)c1ccccc1.O=[Se](=O)(O)O
InChIInChI=1S/C11H16.H2O4Se/c1-3-10(4-2)11-8-6-5-7-9-11;1-5(2,3)4/h5-10H,3-4H2,1-2H3;(H2,1,2,3,4)
InChIKeyGLISJUNINHAYBM-UHFFFAOYSA-N
MW293.22 g/mol
LogP1.86
Rot. Bonds3

About pentan-3-ylbenzene;selenic acid

pentan-3-ylbenzene;selenic acid (PubChem CID 175520254) has the molecular formula C11H18O4Se and a molecular weight of 293.22 g/mol. Its IUPAC name is pentan-3-ylbenzene;selenic acid.

Molecular Properties

Compound Namepentan-3-ylbenzene;selenic acid
PubChem CID175520254
Molecular FormulaC11H18O4Se
Molecular Weight293.22 g/mol
Exact Mass294.04
IUPAC Namepentan-3-ylbenzene;selenic acid
SMILESCCC(CC)c1ccccc1.O=[Se](=O)(O)O
InChIInChI=1S/C11H16.H2O4Se/c1-3-10(4-2)11-8-6-5-7-9-11;1-5(2,3)4/h5-10H,3-4H2,1-2H3;(H2,1,2,3,4)
InChIKeyGLISJUNINHAYBM-UHFFFAOYSA-N
XLogP1.86
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.22
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

azane;pentan-3-ylbenzene
CID 19774895
ethane;3-phenylpentanoic acid
CID 142147200
hydrogen peroxide;1-phenylbutan-2-ylbenzene
CID 19777291
(3S)-3-phenylpentanoyl chloride
CID 42074098
(3R)-3-phenylpentanal
CID 12598589
(3R)-1,3-diphenylpentan-1-one
CID 11042799
(2R,4R)-2-methyl-4-phenylhexanoic acid
CID 134848322
2-(aminomethyl)-5-phenylheptanoic acid
CID 69271345
2,2-dimethyl-5-phenylheptan-3-one
CID 15091945
6-phenyloctan-3-one
CID 83936524
deuterioethyne;2-ethyl-4-phenylhexanoic acid
CID 91035178
2-oxo-2-(2-phenylbutoxy)acetic acid
CID 22390935

Frequently Asked Questions

What is the IUPAC name of pentan-3-ylbenzene;selenic acid?
The IUPAC name of pentan-3-ylbenzene;selenic acid (CID 175520254) is pentan-3-ylbenzene;selenic acid.
What is the SMILES notation for pentan-3-ylbenzene;selenic acid?
The canonical SMILES for pentan-3-ylbenzene;selenic acid is CCC(CC)c1ccccc1.O=[Se](=O)(O)O.
What is the InChIKey of pentan-3-ylbenzene;selenic acid?
The InChIKey is GLISJUNINHAYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.H2O4Se/c1-3-10(4-2)11-8-6-5-7-9-11;1-5(2,3)4/h5-10H,3-4H2,1-2H3;(H2,1,2,3,4).
What are the key properties of pentan-3-ylbenzene;selenic acid?
pentan-3-ylbenzene;selenic acid has a molecular weight of 293.22 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-3-ylbenzene;selenic acid is sourced from PubChem (CID 175520254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).