2-methylselanylpropan-2-ylbenzene

C10H14Se — CID 13439737

IUPAC2-methylselanylpropan-2-ylbenzene
SMILESC[Se]C(C)(C)c1ccccc1
InChIInChI=1S/C10H14Se/c1-10(2,11-3)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKeyKZCIWDGAFDWEKX-UHFFFAOYSA-N
MW213.18 g/mol
LogP2.67
Rot. Bonds2

About 2-methylselanylpropan-2-ylbenzene

2-methylselanylpropan-2-ylbenzene (PubChem CID 13439737) has the molecular formula C10H14Se and a molecular weight of 213.18 g/mol. Its IUPAC name is 2-methylselanylpropan-2-ylbenzene.

Molecular Properties

Compound Name2-methylselanylpropan-2-ylbenzene
PubChem CID13439737
Molecular FormulaC10H14Se
Molecular Weight213.18 g/mol
Exact Mass214.03
IUPAC Name2-methylselanylpropan-2-ylbenzene
SMILESC[Se]C(C)(C)c1ccccc1
InChIInChI=1S/C10H14Se/c1-10(2,11-3)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKeyKZCIWDGAFDWEKX-UHFFFAOYSA-N
XLogP2.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.18
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1-methoxy-1-methylselanylethyl)benzene
CID 11831206
2-phenylpropan-2-ylbenzene
CID 13065
CID 171375456
CID 171375456
(1-bromo-1-phenylethyl)benzene
CID 19019197
tert-butylbenzene;2,2-dimethylpropane;methane
CID 160959011
tert-butylbenzene;molecular nitrogen
CID 146464751
tert-butylbenzene;chloromethane;ethane
CID 91149652
benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 158670454
1,1-difluoroethylbenzene
CID 10942535
CID 177002326
CID 177002326
1,1-diphenylethanamine
CID 12761172
tert-butylbenzene;methanimine
CID 174908280

Frequently Asked Questions

What is the IUPAC name of 2-methylselanylpropan-2-ylbenzene?
The IUPAC name of 2-methylselanylpropan-2-ylbenzene (CID 13439737) is 2-methylselanylpropan-2-ylbenzene.
What is the SMILES notation for 2-methylselanylpropan-2-ylbenzene?
The canonical SMILES for 2-methylselanylpropan-2-ylbenzene is C[Se]C(C)(C)c1ccccc1.
What is the InChIKey of 2-methylselanylpropan-2-ylbenzene?
The InChIKey is KZCIWDGAFDWEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Se/c1-10(2,11-3)9-7-5-4-6-8-9/h4-8H,1-3H3.
What are the key properties of 2-methylselanylpropan-2-ylbenzene?
2-methylselanylpropan-2-ylbenzene has a molecular weight of 213.18 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylselanylpropan-2-ylbenzene is sourced from PubChem (CID 13439737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).