CID 174137653

C11H12B4 — CID 174137653

IUPAC—
SMILES[B]c1c([B])c(C)c([B])c(C(C)(C)C)c1[B]
InChIInChI=1S/C11H12B4/c1-5-7(12)6(11(2,3)4)9(14)10(15)8(5)13/h1-4H3
InChIKeyZGVBSVHXVDFWGT-UHFFFAOYSA-N
MW187.47 g/mol
LogP-1.53
Rot. Bonds

About CID 174137653

CID 174137653 (PubChem CID 174137653) has the molecular formula C11H12B4 and a molecular weight of 187.47 g/mol.

Molecular Properties

Compound NameCID 174137653
PubChem CID174137653
Molecular FormulaC11H12B4
Molecular Weight187.47 g/mol
Exact Mass188.13
IUPAC Name—
SMILES[B]c1c([B])c(C)c([B])c(C(C)(C)C)c1[B]
InChIInChI=1S/C11H12B4/c1-5-7(12)6(11(2,3)4)9(14)10(15)8(5)13/h1-4H3
InChIKeyZGVBSVHXVDFWGT-UHFFFAOYSA-N
XLogP-1.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.47
LogP ≤ 5-1.53
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 174137653?
The IUPAC name of CID 174137653 (CID 174137653) is not available.
What is the SMILES notation for CID 174137653?
The canonical SMILES for CID 174137653 is [B]c1c([B])c(C)c([B])c(C(C)(C)C)c1[B].
What is the InChIKey of CID 174137653?
The InChIKey is ZGVBSVHXVDFWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12B4/c1-5-7(12)6(11(2,3)4)9(14)10(15)8(5)13/h1-4H3.
What are the key properties of CID 174137653?
CID 174137653 has a molecular weight of 187.47 g/mol, XLogP of -1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174137653 is sourced from PubChem (CID 174137653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).