CID 173243299

C18H19As — CID 173243299

IUPAC—
SMILESC=CC(c1ccccc1)c1ccccc1C(C)(C)[As]
InChIInChI=1S/C18H19As/c1-4-15(14-10-6-5-7-11-14)16-12-8-9-13-17(16)18(2,3)19/h4-13,15H,1H2,2-3H3
InChIKeyIVHOBIDEVLATQT-UHFFFAOYSA-N
MW310.27 g/mol
LogP4.41
Rot. Bonds4

About CID 173243299

CID 173243299 (PubChem CID 173243299) has the molecular formula C18H19As and a molecular weight of 310.27 g/mol.

Molecular Properties

Compound NameCID 173243299
PubChem CID173243299
Molecular FormulaC18H19As
Molecular Weight310.27 g/mol
Exact Mass310.07
IUPAC Name—
SMILESC=CC(c1ccccc1)c1ccccc1C(C)(C)[As]
InChIInChI=1S/C18H19As/c1-4-15(14-10-6-5-7-11-14)16-12-8-9-13-17(16)18(2,3)19/h4-13,15H,1H2,2-3H3
InChIKeyIVHOBIDEVLATQT-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173243299?
The IUPAC name of CID 173243299 (CID 173243299) is not available.
What is the SMILES notation for CID 173243299?
The canonical SMILES for CID 173243299 is C=CC(c1ccccc1)c1ccccc1C(C)(C)[As].
What is the InChIKey of CID 173243299?
The InChIKey is IVHOBIDEVLATQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19As/c1-4-15(14-10-6-5-7-11-14)16-12-8-9-13-17(16)18(2,3)19/h4-13,15H,1H2,2-3H3.
What are the key properties of CID 173243299?
CID 173243299 has a molecular weight of 310.27 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173243299 is sourced from PubChem (CID 173243299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).