2-methylpropylselanylbenzene

C10H14Se — CID 12544088

IUPAC2-methylpropylselanylbenzene
SMILESCC(C)C[Se]c1ccccc1
InChIInChI=1S/C10H14Se/c1-9(2)8-11-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyODNDZUBWFLKRCO-UHFFFAOYSA-N
MW213.18 g/mol
LogP2.09
Rot. Bonds3

About 2-methylpropylselanylbenzene

2-methylpropylselanylbenzene (PubChem CID 12544088) has the molecular formula C10H14Se and a molecular weight of 213.18 g/mol. Its IUPAC name is 2-methylpropylselanylbenzene.

Molecular Properties

Compound Name2-methylpropylselanylbenzene
PubChem CID12544088
Molecular FormulaC10H14Se
Molecular Weight213.18 g/mol
Exact Mass214.03
IUPAC Name2-methylpropylselanylbenzene
SMILESCC(C)C[Se]c1ccccc1
InChIInChI=1S/C10H14Se/c1-9(2)8-11-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyODNDZUBWFLKRCO-UHFFFAOYSA-N
XLogP2.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.18
LogP ≤ 52.09
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

3-methyl-1-phenylselanylbutan-2-ol
CID 12504209
(2S)-3-methyl-1-phenylselanylbutan-2-amine
CID 11572279
4-methyl-5-phenylselanylpentan-2-one
CID 87872805
(4S)-4-methyl-5-phenylselanylpentanoic acid
CID 59962587
4-methyl-5-phenylselanylpentanoic acid
CID 23379011
(1R)-1-(4-tert-butylphenyl)-2-phenylselanylethanol
CID 168868530
1,1,1-trifluoro-3-phenylselanylpropan-2-ol
CID 134993277
2-[(1R)-1-hydroxy-2-phenylselanylethyl]phenol
CID 168868522
(2-chloro-5,5-dimethylhex-3-ynyl)selanylbenzene
CID 23267193
(2S)-1-phenylselanyloctan-2-ol
CID 71415328
N-(1-phenyl-2-phenylselanylethyl)aniline
CID 172557250
(1R)-2-(3-methylphenyl)selanyl-1-phenylethanol
CID 168868518

Frequently Asked Questions

What is the IUPAC name of 2-methylpropylselanylbenzene?
The IUPAC name of 2-methylpropylselanylbenzene (CID 12544088) is 2-methylpropylselanylbenzene.
What is the SMILES notation for 2-methylpropylselanylbenzene?
The canonical SMILES for 2-methylpropylselanylbenzene is CC(C)C[Se]c1ccccc1.
What is the InChIKey of 2-methylpropylselanylbenzene?
The InChIKey is ODNDZUBWFLKRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Se/c1-9(2)8-11-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3.
What are the key properties of 2-methylpropylselanylbenzene?
2-methylpropylselanylbenzene has a molecular weight of 213.18 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropylselanylbenzene is sourced from PubChem (CID 12544088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).