CID 22075923

C8H17As+ — CID 22075923

IUPAC—
SMILESCCCC([As+])(CC)CC
InChIInChI=1S/C8H17As/c1-4-7-8(9,5-2)6-3/h4-7H2,1-3H3/q+1
InChIKeyBONLUEKXEMWSAN-UHFFFAOYSA-N
MW188.15 g/mol
LogP2.93
Rot. Bonds4

About CID 22075923

CID 22075923 (PubChem CID 22075923) has the molecular formula C8H17As+ and a molecular weight of 188.15 g/mol.

Molecular Properties

Compound NameCID 22075923
PubChem CID22075923
Molecular FormulaC8H17As+
Molecular Weight188.15 g/mol
Exact Mass188.05
IUPAC Name—
SMILESCCCC([As+])(CC)CC
InChIInChI=1S/C8H17As/c1-4-7-8(9,5-2)6-3/h4-7H2,1-3H3/q+1
InChIKeyBONLUEKXEMWSAN-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.15
LogP ≤ 52.93
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

3,3-dimethylhexane
CID 11233
3-methyl-3-methylsulfanylhexane
CID 91501828
hexane-3,3-diamine
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CID 123373948
CID 123373948
3-bromo-3-methylhexane
CID 19851237
4-ethyl-4-fluoroheptane;propane
CID 171657626
azane;3-ethylhexan-3-amine
CID 18676269
azane;3-ethylhexan-3-ol;hydrochloride
CID 175147879
heptane-4,4-dithiol
CID 154237484
bis(2,2-dimethylpentane);methane
CID 159859974
sodium;3-ethylpentan-3-ol;hydride
CID 174311267
3-methylhexane-3-sulfonamide
CID 57466986

Frequently Asked Questions

What is the IUPAC name of CID 22075923?
The IUPAC name of CID 22075923 (CID 22075923) is not available.
What is the SMILES notation for CID 22075923?
The canonical SMILES for CID 22075923 is CCCC([As+])(CC)CC.
What is the InChIKey of CID 22075923?
The InChIKey is BONLUEKXEMWSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17As/c1-4-7-8(9,5-2)6-3/h4-7H2,1-3H3/q+1.
What are the key properties of CID 22075923?
CID 22075923 has a molecular weight of 188.15 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22075923 is sourced from PubChem (CID 22075923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).