CID 90712882

C11H19B — CID 90712882

IUPAC—
SMILES[B]CCC1C(C)=C(C)C(C)C1C
InChIInChI=1S/C11H19B/c1-7-8(2)10(4)11(5-6-12)9(7)3/h7,9,11H,5-6H2,1-4H3
InChIKeyFDTMYJAWMZHGNE-UHFFFAOYSA-N
MW162.08 g/mol
LogP3.20
Rot. Bonds2

About CID 90712882

CID 90712882 (PubChem CID 90712882) has the molecular formula C11H19B and a molecular weight of 162.08 g/mol.

Molecular Properties

Compound NameCID 90712882
PubChem CID90712882
Molecular FormulaC11H19B
Molecular Weight162.08 g/mol
Exact Mass162.16
IUPAC Name—
SMILES[B]CCC1C(C)=C(C)C(C)C1C
InChIInChI=1S/C11H19B/c1-7-8(2)10(4)11(5-6-12)9(7)3/h7,9,11H,5-6H2,1-4H3
InChIKeyFDTMYJAWMZHGNE-UHFFFAOYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.08
LogP ≤ 53.20
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 90712882?
The IUPAC name of CID 90712882 (CID 90712882) is not available.
What is the SMILES notation for CID 90712882?
The canonical SMILES for CID 90712882 is [B]CCC1C(C)=C(C)C(C)C1C.
What is the InChIKey of CID 90712882?
The InChIKey is FDTMYJAWMZHGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19B/c1-7-8(2)10(4)11(5-6-12)9(7)3/h7,9,11H,5-6H2,1-4H3.
What are the key properties of CID 90712882?
CID 90712882 has a molecular weight of 162.08 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90712882 is sourced from PubChem (CID 90712882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).