CID 21015292

C7H11BO2 — CID 21015292

IUPAC—
SMILES[B]C1CC(O)C2(CO)CC12
InChIInChI=1S/C7H11BO2/c8-5-1-6(10)7(3-9)2-4(5)7/h4-6,9-10H,1-3H2
InChIKeyQFGKAXFZOHHSPZ-UHFFFAOYSA-N
MW137.97 g/mol
LogP-0.29
Rot. Bonds1

About CID 21015292

CID 21015292 (PubChem CID 21015292) has the molecular formula C7H11BO2 and a molecular weight of 137.97 g/mol.

Molecular Properties

Compound NameCID 21015292
PubChem CID21015292
Molecular FormulaC7H11BO2
Molecular Weight137.97 g/mol
Exact Mass138.09
IUPAC Name—
SMILES[B]C1CC(O)C2(CO)CC12
InChIInChI=1S/C7H11BO2/c8-5-1-6(10)7(3-9)2-4(5)7/h4-6,9-10H,1-3H2
InChIKeyQFGKAXFZOHHSPZ-UHFFFAOYSA-N
XLogP-0.29
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.97
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 21015292?
The IUPAC name of CID 21015292 (CID 21015292) is not available.
What is the SMILES notation for CID 21015292?
The canonical SMILES for CID 21015292 is [B]C1CC(O)C2(CO)CC12.
What is the InChIKey of CID 21015292?
The InChIKey is QFGKAXFZOHHSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BO2/c8-5-1-6(10)7(3-9)2-4(5)7/h4-6,9-10H,1-3H2.
What are the key properties of CID 21015292?
CID 21015292 has a molecular weight of 137.97 g/mol, XLogP of -0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21015292 is sourced from PubChem (CID 21015292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).