CID 134889664

C6H11B- — CID 134889664

IUPAC—
SMILES[B-][C@@H]1CCC[C@H]1C
InChIInChI=1S/C6H11B/c1-5-3-2-4-6(5)7/h5-6H,2-4H2,1H3/q-1/t5-,6-/m1/s1
InChIKeyVWHUEBKXYNEKMA-PHDIDXHHSA-N
MW93.97 g/mol
LogP1.76
Rot. Bonds

About CID 134889664

CID 134889664 (PubChem CID 134889664) has the molecular formula C6H11B- and a molecular weight of 93.97 g/mol.

Molecular Properties

Compound NameCID 134889664
PubChem CID134889664
Molecular FormulaC6H11B-
Molecular Weight93.97 g/mol
Exact Mass94.10
IUPAC Name—
SMILES[B-][C@@H]1CCC[C@H]1C
InChIInChI=1S/C6H11B/c1-5-3-2-4-6(5)7/h5-6H,2-4H2,1H3/q-1/t5-,6-/m1/s1
InChIKeyVWHUEBKXYNEKMA-PHDIDXHHSA-N
XLogP1.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.97
LogP ≤ 51.76
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 134889664?
The IUPAC name of CID 134889664 (CID 134889664) is not available.
What is the SMILES notation for CID 134889664?
The canonical SMILES for CID 134889664 is [B-][C@@H]1CCC[C@H]1C.
What is the InChIKey of CID 134889664?
The InChIKey is VWHUEBKXYNEKMA-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H11B/c1-5-3-2-4-6(5)7/h5-6H,2-4H2,1H3/q-1/t5-,6-/m1/s1.
What are the key properties of CID 134889664?
CID 134889664 has a molecular weight of 93.97 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134889664 is sourced from PubChem (CID 134889664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).