CID 173166794

C10H13Se — CID 173166794

IUPAC—
SMILESCC(C)c1ccccc1C[Se]
InChIInChI=1S/C10H13Se/c1-8(2)10-6-4-3-5-9(10)7-11/h3-6,8H,7H2,1-2H3
InChIKeyLDEJPBKGFSUKIP-UHFFFAOYSA-N
MW212.17 g/mol
LogP2.48
Rot. Bonds2

About CID 173166794

CID 173166794 (PubChem CID 173166794) has the molecular formula C10H13Se and a molecular weight of 212.17 g/mol.

Molecular Properties

Compound NameCID 173166794
PubChem CID173166794
Molecular FormulaC10H13Se
Molecular Weight212.17 g/mol
Exact Mass213.02
IUPAC Name—
SMILESCC(C)c1ccccc1C[Se]
InChIInChI=1S/C10H13Se/c1-8(2)10-6-4-3-5-9(10)7-11/h3-6,8H,7H2,1-2H3
InChIKeyLDEJPBKGFSUKIP-UHFFFAOYSA-N
XLogP2.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 52.48
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

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N-methoxy-1-(2-propan-2-ylphenyl)methanamine
CID 82600286
2-(2-propan-2-ylphenyl)acetic acid;hydrochloride
CID 70396456
1-(2,2-dimethylpropyl)-2-propan-2-ylbenzene;ethane
CID 142343598
ethane;N-methyl-1-(2-propan-2-ylphenyl)methanamine
CID 177247543
1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314
2-(2-propan-2-ylphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of CID 173166794?
The IUPAC name of CID 173166794 (CID 173166794) is not available.
What is the SMILES notation for CID 173166794?
The canonical SMILES for CID 173166794 is CC(C)c1ccccc1C[Se].
What is the InChIKey of CID 173166794?
The InChIKey is LDEJPBKGFSUKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Se/c1-8(2)10-6-4-3-5-9(10)7-11/h3-6,8H,7H2,1-2H3.
What are the key properties of CID 173166794?
CID 173166794 has a molecular weight of 212.17 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173166794 is sourced from PubChem (CID 173166794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).