CID 57249010

C11H20BO — CID 57249010

IUPAC—
SMILESCCCOC12[B]C(CCC1)CCC2
InChIInChI=1S/C11H20BO/c1-2-9-13-11-7-3-5-10(12-11)6-4-8-11/h10H,2-9H2,1H3
InChIKeyRFWMOXGXBGRGPC-UHFFFAOYSA-N
MW179.09 g/mol
LogP2.97
Rot. Bonds3

About CID 57249010

CID 57249010 (PubChem CID 57249010) has the molecular formula C11H20BO and a molecular weight of 179.09 g/mol.

Molecular Properties

Compound NameCID 57249010
PubChem CID57249010
Molecular FormulaC11H20BO
Molecular Weight179.09 g/mol
Exact Mass179.16
IUPAC Name—
SMILESCCCOC12[B]C(CCC1)CCC2
InChIInChI=1S/C11H20BO/c1-2-9-13-11-7-3-5-10(12-11)6-4-8-11/h10H,2-9H2,1H3
InChIKeyRFWMOXGXBGRGPC-UHFFFAOYSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.09
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 57249010?
The IUPAC name of CID 57249010 (CID 57249010) is not available.
What is the SMILES notation for CID 57249010?
The canonical SMILES for CID 57249010 is CCCOC12[B]C(CCC1)CCC2.
What is the InChIKey of CID 57249010?
The InChIKey is RFWMOXGXBGRGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BO/c1-2-9-13-11-7-3-5-10(12-11)6-4-8-11/h10H,2-9H2,1H3.
What are the key properties of CID 57249010?
CID 57249010 has a molecular weight of 179.09 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57249010 is sourced from PubChem (CID 57249010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).