CID 165401665

C11H17B — CID 165401665

IUPAC—
SMILESCCC.[B]Cc1ccccc1C
InChIInChI=1S/C8H9B.C3H8/c1-7-4-2-3-5-8(7)6-9;1-3-2/h2-5H,6H2,1H3;3H2,1-2H3
InChIKeyPBFIDVWIXJPZCC-UHFFFAOYSA-N
MW160.07 g/mol
LogP3.08
Rot. Bonds1

About CID 165401665

CID 165401665 (PubChem CID 165401665) has the molecular formula C11H17B and a molecular weight of 160.07 g/mol.

Molecular Properties

Compound NameCID 165401665
PubChem CID165401665
Molecular FormulaC11H17B
Molecular Weight160.07 g/mol
Exact Mass160.14
IUPAC Name—
SMILESCCC.[B]Cc1ccccc1C
InChIInChI=1S/C8H9B.C3H8/c1-7-4-2-3-5-8(7)6-9;1-3-2/h2-5H,6H2,1H3;3H2,1-2H3
InChIKeyPBFIDVWIXJPZCC-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.07
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 165401665?
The IUPAC name of CID 165401665 (CID 165401665) is not available.
What is the SMILES notation for CID 165401665?
The canonical SMILES for CID 165401665 is CCC.[B]Cc1ccccc1C.
What is the InChIKey of CID 165401665?
The InChIKey is PBFIDVWIXJPZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9B.C3H8/c1-7-4-2-3-5-8(7)6-9;1-3-2/h2-5H,6H2,1H3;3H2,1-2H3.
What are the key properties of CID 165401665?
CID 165401665 has a molecular weight of 160.07 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 165401665 is sourced from PubChem (CID 165401665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).