CID 90755358

C6H11BO — CID 90755358

IUPAC—
SMILES[B]C1OC(C)CC1C
InChIInChI=1S/C6H11BO/c1-4-3-5(2)8-6(4)7/h4-6H,3H2,1-2H3
InChIKeyGLMUOBFWHVUAKB-UHFFFAOYSA-N
MW109.96 g/mol
LogP0.93
Rot. Bonds

About CID 90755358

CID 90755358 (PubChem CID 90755358) has the molecular formula C6H11BO and a molecular weight of 109.96 g/mol.

Molecular Properties

Compound NameCID 90755358
PubChem CID90755358
Molecular FormulaC6H11BO
Molecular Weight109.96 g/mol
Exact Mass110.09
IUPAC Name—
SMILES[B]C1OC(C)CC1C
InChIInChI=1S/C6H11BO/c1-4-3-5(2)8-6(4)7/h4-6H,3H2,1-2H3
InChIKeyGLMUOBFWHVUAKB-UHFFFAOYSA-N
XLogP0.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.96
LogP ≤ 50.93
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 90755358?
The IUPAC name of CID 90755358 (CID 90755358) is not available.
What is the SMILES notation for CID 90755358?
The canonical SMILES for CID 90755358 is [B]C1OC(C)CC1C.
What is the InChIKey of CID 90755358?
The InChIKey is GLMUOBFWHVUAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BO/c1-4-3-5(2)8-6(4)7/h4-6H,3H2,1-2H3.
What are the key properties of CID 90755358?
CID 90755358 has a molecular weight of 109.96 g/mol, XLogP of 0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90755358 is sourced from PubChem (CID 90755358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).