CID 174152167

C9H15B — CID 174152167

IUPAC—
SMILES[B]C(C)C1C2CCC1CC2
InChIInChI=1S/C9H15B/c1-6(10)9-7-2-3-8(9)5-4-7/h6-9H,2-5H2,1H3
InChIKeyJLWNHSYQIJZLIK-UHFFFAOYSA-N
MW134.03 g/mol
LogP2.40
Rot. Bonds1

About CID 174152167

CID 174152167 (PubChem CID 174152167) has the molecular formula C9H15B and a molecular weight of 134.03 g/mol.

Molecular Properties

Compound NameCID 174152167
PubChem CID174152167
Molecular FormulaC9H15B
Molecular Weight134.03 g/mol
Exact Mass134.13
IUPAC Name—
SMILES[B]C(C)C1C2CCC1CC2
InChIInChI=1S/C9H15B/c1-6(10)9-7-2-3-8(9)5-4-7/h6-9H,2-5H2,1H3
InChIKeyJLWNHSYQIJZLIK-UHFFFAOYSA-N
XLogP2.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.03
LogP ≤ 52.40
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 174152167?
The IUPAC name of CID 174152167 (CID 174152167) is not available.
What is the SMILES notation for CID 174152167?
The canonical SMILES for CID 174152167 is [B]C(C)C1C2CCC1CC2.
What is the InChIKey of CID 174152167?
The InChIKey is JLWNHSYQIJZLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15B/c1-6(10)9-7-2-3-8(9)5-4-7/h6-9H,2-5H2,1H3.
What are the key properties of CID 174152167?
CID 174152167 has a molecular weight of 134.03 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174152167 is sourced from PubChem (CID 174152167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).