(1-methoxy-1-methylselanylethyl)benzene

C10H14OSe — CID 11831206

IUPAC(1-methoxy-1-methylselanylethyl)benzene
SMILESCOC(C)([Se]C)c1ccccc1
InChIInChI=1S/C10H14OSe/c1-10(11-2,12-3)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKeyANNRMZZYIIHRQP-UHFFFAOYSA-N
MW229.18 g/mol
LogP2.26
Rot. Bonds3

About (1-methoxy-1-methylselanylethyl)benzene

(1-methoxy-1-methylselanylethyl)benzene (PubChem CID 11831206) has the molecular formula C10H14OSe and a molecular weight of 229.18 g/mol. Its IUPAC name is (1-methoxy-1-methylselanylethyl)benzene.

Molecular Properties

Compound Name(1-methoxy-1-methylselanylethyl)benzene
PubChem CID11831206
Molecular FormulaC10H14OSe
Molecular Weight229.18 g/mol
Exact Mass230.02
IUPAC Name(1-methoxy-1-methylselanylethyl)benzene
SMILESCOC(C)([Se]C)c1ccccc1
InChIInChI=1S/C10H14OSe/c1-10(11-2,12-3)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKeyANNRMZZYIIHRQP-UHFFFAOYSA-N
XLogP2.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.18
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methylselanylpropan-2-ylbenzene
CID 13439737
(1-fluoro-1-methoxyethyl)benzene
CID 89466800
(1S)-1-methoxy-1-phenylethanol
CID 141414609
(1,4-dimethoxy-2,3-dimethyl-3-phenylbutan-2-yl)benzene
CID 131848966
(2R,3R,4R,5R)-2,5-dimethoxy-2,5-diphenylhexane-3,4-diol
CID 101412286
2-phenylpropan-2-ylbenzene
CID 13065
CID 171375456
CID 171375456
3-methoxy-2,3-diphenylbutan-2-ol
CID 3395875
(1-bromo-2-methoxypropan-2-yl)benzene
CID 14288292
1,1,2-trimethoxypropan-2-ylbenzene
CID 14068454
2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 174400461
dimethoxy-bis(2-phenylpropan-2-yl)silane
CID 22988550

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-1-methylselanylethyl)benzene?
The IUPAC name of (1-methoxy-1-methylselanylethyl)benzene (CID 11831206) is (1-methoxy-1-methylselanylethyl)benzene.
What is the SMILES notation for (1-methoxy-1-methylselanylethyl)benzene?
The canonical SMILES for (1-methoxy-1-methylselanylethyl)benzene is COC(C)([Se]C)c1ccccc1.
What is the InChIKey of (1-methoxy-1-methylselanylethyl)benzene?
The InChIKey is ANNRMZZYIIHRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OSe/c1-10(11-2,12-3)9-7-5-4-6-8-9/h4-8H,1-3H3.
What are the key properties of (1-methoxy-1-methylselanylethyl)benzene?
(1-methoxy-1-methylselanylethyl)benzene has a molecular weight of 229.18 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-1-methylselanylethyl)benzene is sourced from PubChem (CID 11831206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).