CID 136741886

C12H17As — CID 136741886

IUPAC—
SMILESCC(C)c1cccc(C(C)C)c1[As]
InChIInChI=1S/C12H17As/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9H,1-4H3
InChIKeyQOJHTSPEUIUVFD-UHFFFAOYSA-N
MW236.19 g/mol
LogP2.73
Rot. Bonds2

About CID 136741886

CID 136741886 (PubChem CID 136741886) has the molecular formula C12H17As and a molecular weight of 236.19 g/mol.

Molecular Properties

Compound NameCID 136741886
PubChem CID136741886
Molecular FormulaC12H17As
Molecular Weight236.19 g/mol
Exact Mass236.05
IUPAC Name—
SMILESCC(C)c1cccc(C(C)C)c1[As]
InChIInChI=1S/C12H17As/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9H,1-4H3
InChIKeyQOJHTSPEUIUVFD-UHFFFAOYSA-N
XLogP2.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 52.73
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

1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314
tetrakis([2,6-di(propan-2-yl)phenyl]azanide);ytterbium
CID 5249219
bis([2,6-di(propan-2-yl)phenyl]azanium) dichloride
CID 139074965
2,6-di(propan-2-yl)phenol;silver
CID 174803720
bis[2,6-di(propan-2-yl)phenyl]phosphanide
CID 139171604
[2,6-di(propan-2-yl)phenyl]iminotantalum
CID 10864957
bis(2,6-di(propan-2-yl)phenol);titanium(2+);dichloride
CID 87638376
bis(2,6-di(propan-2-yl)phenol);titanium;dihydrochloride
CID 87638377
ethene;methane;2-methyl-1,3-di(propan-2-yl)benzene
CID 142526423
trichloro-[2,6-di(propan-2-yl)phenyl]germane
CID 15200932
dimethylalumane;tris(2,6-di(propan-2-yl)phenol)
CID 173121880
[2,6-di(propan-2-yl)phenyl]iminotitanium(2+)
CID 11564443

Frequently Asked Questions

What is the IUPAC name of CID 136741886?
The IUPAC name of CID 136741886 (CID 136741886) is not available.
What is the SMILES notation for CID 136741886?
The canonical SMILES for CID 136741886 is CC(C)c1cccc(C(C)C)c1[As].
What is the InChIKey of CID 136741886?
The InChIKey is QOJHTSPEUIUVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17As/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9H,1-4H3.
What are the key properties of CID 136741886?
CID 136741886 has a molecular weight of 236.19 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136741886 is sourced from PubChem (CID 136741886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).