CID 174037724

C12H24B — CID 174037724

IUPAC—
SMILESCC(C)=C([B]C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H24B/c1-9(2)10(11(3,4)5)13-12(6,7)8/h1-8H3
InChIKeyOAKVHHRJLMZOEX-UHFFFAOYSA-N
MW179.14 g/mol
LogP4.25
Rot. Bonds1

About CID 174037724

CID 174037724 (PubChem CID 174037724) has the molecular formula C12H24B and a molecular weight of 179.14 g/mol.

Molecular Properties

Compound NameCID 174037724
PubChem CID174037724
Molecular FormulaC12H24B
Molecular Weight179.14 g/mol
Exact Mass179.20
IUPAC Name—
SMILESCC(C)=C([B]C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H24B/c1-9(2)10(11(3,4)5)13-12(6,7)8/h1-8H3
InChIKeyOAKVHHRJLMZOEX-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 54.25
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 174037724?
The IUPAC name of CID 174037724 (CID 174037724) is not available.
What is the SMILES notation for CID 174037724?
The canonical SMILES for CID 174037724 is CC(C)=C([B]C(C)(C)C)C(C)(C)C.
What is the InChIKey of CID 174037724?
The InChIKey is OAKVHHRJLMZOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24B/c1-9(2)10(11(3,4)5)13-12(6,7)8/h1-8H3.
What are the key properties of CID 174037724?
CID 174037724 has a molecular weight of 179.14 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174037724 is sourced from PubChem (CID 174037724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).