CID 160506105

C22H36B2 — CID 160506105

IUPAC—
SMILESCC.CC.CC(C)c1ccccc1.CC(C)c1ccccc1.[B].[B]
InChIInChI=1S/2C9H12.2C2H6.2B/c2*1-8(2)9-6-4-3-5-7-9;2*1-2;;/h2*3-8H,1-2H3;2*1-2H3;;
InChIKeyGECFVUYGBWUKME-UHFFFAOYSA-N
MW322.15 g/mol
LogP6.91
Rot. Bonds2

About CID 160506105

CID 160506105 (PubChem CID 160506105) has the molecular formula C22H36B2 and a molecular weight of 322.15 g/mol.

Molecular Properties

Compound NameCID 160506105
PubChem CID160506105
Molecular FormulaC22H36B2
Molecular Weight322.15 g/mol
Exact Mass322.30
IUPAC Name—
SMILESCC.CC.CC(C)c1ccccc1.CC(C)c1ccccc1.[B].[B]
InChIInChI=1S/2C9H12.2C2H6.2B/c2*1-8(2)9-6-4-3-5-7-9;2*1-2;;/h2*3-8H,1-2H3;2*1-2H3;;
InChIKeyGECFVUYGBWUKME-UHFFFAOYSA-N
XLogP6.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.15
LogP ≤ 56.91
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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CID 170640582

Frequently Asked Questions

What is the IUPAC name of CID 160506105?
The IUPAC name of CID 160506105 (CID 160506105) is not available.
What is the SMILES notation for CID 160506105?
The canonical SMILES for CID 160506105 is CC.CC.CC(C)c1ccccc1.CC(C)c1ccccc1.[B].[B].
What is the InChIKey of CID 160506105?
The InChIKey is GECFVUYGBWUKME-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H12.2C2H6.2B/c2*1-8(2)9-6-4-3-5-7-9;2*1-2;;/h2*3-8H,1-2H3;2*1-2H3;;.
What are the key properties of CID 160506105?
CID 160506105 has a molecular weight of 322.15 g/mol, XLogP of 6.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160506105 is sourced from PubChem (CID 160506105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).