CID 21304539

C11H19B- — CID 21304539

IUPAC—
SMILESC[B-]1C(C)=C(C)C(C)=C(C)C1C
InChIInChI=1S/C11H19B/c1-7-8(2)10(4)12(6)11(5)9(7)3/h10H,1-6H3/q-1
InChIKeyIUALMFOJVNQYMU-UHFFFAOYSA-N
MW162.08 g/mol
LogP3.73
Rot. Bonds

About CID 21304539

CID 21304539 (PubChem CID 21304539) has the molecular formula C11H19B- and a molecular weight of 162.08 g/mol.

Molecular Properties

Compound NameCID 21304539
PubChem CID21304539
Molecular FormulaC11H19B-
Molecular Weight162.08 g/mol
Exact Mass162.16
IUPAC Name—
SMILESC[B-]1C(C)=C(C)C(C)=C(C)C1C
InChIInChI=1S/C11H19B/c1-7-8(2)10(4)12(6)11(5)9(7)3/h10H,1-6H3/q-1
InChIKeyIUALMFOJVNQYMU-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.08
LogP ≤ 53.73
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 21304539?
The IUPAC name of CID 21304539 (CID 21304539) is not available.
What is the SMILES notation for CID 21304539?
The canonical SMILES for CID 21304539 is C[B-]1C(C)=C(C)C(C)=C(C)C1C.
What is the InChIKey of CID 21304539?
The InChIKey is IUALMFOJVNQYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19B/c1-7-8(2)10(4)12(6)11(5)9(7)3/h10H,1-6H3/q-1.
What are the key properties of CID 21304539?
CID 21304539 has a molecular weight of 162.08 g/mol, XLogP of 3.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21304539 is sourced from PubChem (CID 21304539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).