CID 163717650

C8H11BO2 — CID 163717650

IUPAC—
SMILES[B][C@H]1C[C@H](O)C2(CC2O)C1=C
InChIInChI=1S/C8H11BO2/c1-4-5(9)2-6(10)8(4)3-7(8)11/h5-7,10-11H,1-3H2/t5-,6-,7?,8?/m0/s1
InChIKeyFNALAOISNWMATP-LHZZQDSXSA-N
MW149.99 g/mol
LogP0.02
Rot. Bonds

About CID 163717650

CID 163717650 (PubChem CID 163717650) has the molecular formula C8H11BO2 and a molecular weight of 149.99 g/mol.

Molecular Properties

Compound NameCID 163717650
PubChem CID163717650
Molecular FormulaC8H11BO2
Molecular Weight149.99 g/mol
Exact Mass150.09
IUPAC Name—
SMILES[B][C@H]1C[C@H](O)C2(CC2O)C1=C
InChIInChI=1S/C8H11BO2/c1-4-5(9)2-6(10)8(4)3-7(8)11/h5-7,10-11H,1-3H2/t5-,6-,7?,8?/m0/s1
InChIKeyFNALAOISNWMATP-LHZZQDSXSA-N
XLogP0.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.99
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 163717650?
The IUPAC name of CID 163717650 (CID 163717650) is not available.
What is the SMILES notation for CID 163717650?
The canonical SMILES for CID 163717650 is [B][C@H]1C[C@H](O)C2(CC2O)C1=C.
What is the InChIKey of CID 163717650?
The InChIKey is FNALAOISNWMATP-LHZZQDSXSA-N. The full InChI is InChI=1S/C8H11BO2/c1-4-5(9)2-6(10)8(4)3-7(8)11/h5-7,10-11H,1-3H2/t5-,6-,7?,8?/m0/s1.
What are the key properties of CID 163717650?
CID 163717650 has a molecular weight of 149.99 g/mol, XLogP of 0.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163717650 is sourced from PubChem (CID 163717650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).