CID 174062067

C13H23B — CID 174062067

IUPAC—
SMILES[B]C(C)(C1CCCC(=C)C1)C(C)(C)C
InChIInChI=1S/C13H23B/c1-10-7-6-8-11(9-10)13(5,14)12(2,3)4/h11H,1,6-9H2,2-5H3
InChIKeyLFFKELAAAJZMBA-UHFFFAOYSA-N
MW190.14 g/mol
LogP4.13
Rot. Bonds1

About CID 174062067

CID 174062067 (PubChem CID 174062067) has the molecular formula C13H23B and a molecular weight of 190.14 g/mol.

Molecular Properties

Compound NameCID 174062067
PubChem CID174062067
Molecular FormulaC13H23B
Molecular Weight190.14 g/mol
Exact Mass190.19
IUPAC Name—
SMILES[B]C(C)(C1CCCC(=C)C1)C(C)(C)C
InChIInChI=1S/C13H23B/c1-10-7-6-8-11(9-10)13(5,14)12(2,3)4/h11H,1,6-9H2,2-5H3
InChIKeyLFFKELAAAJZMBA-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.14
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 174062067?
The IUPAC name of CID 174062067 (CID 174062067) is not available.
What is the SMILES notation for CID 174062067?
The canonical SMILES for CID 174062067 is [B]C(C)(C1CCCC(=C)C1)C(C)(C)C.
What is the InChIKey of CID 174062067?
The InChIKey is LFFKELAAAJZMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23B/c1-10-7-6-8-11(9-10)13(5,14)12(2,3)4/h11H,1,6-9H2,2-5H3.
What are the key properties of CID 174062067?
CID 174062067 has a molecular weight of 190.14 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174062067 is sourced from PubChem (CID 174062067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).