CID 20646290

C6H10B — CID 20646290

IUPAC—
SMILESC=C(C)[B]C(=C)C
InChIInChI=1S/C6H10B/c1-5(2)7-6(3)4/h1,3H2,2,4H3
InChIKeyBHIKNPPJCCEJLU-UHFFFAOYSA-N
MW92.96 g/mol
LogP1.76
Rot. Bonds2

About CID 20646290

CID 20646290 (PubChem CID 20646290) has the molecular formula C6H10B and a molecular weight of 92.96 g/mol.

Molecular Properties

Compound NameCID 20646290
PubChem CID20646290
Molecular FormulaC6H10B
Molecular Weight92.96 g/mol
Exact Mass93.09
IUPAC Name—
SMILESC=C(C)[B]C(=C)C
InChIInChI=1S/C6H10B/c1-5(2)7-6(3)4/h1,3H2,2,4H3
InChIKeyBHIKNPPJCCEJLU-UHFFFAOYSA-N
XLogP1.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.96
LogP ≤ 51.76
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 20646290?
The IUPAC name of CID 20646290 (CID 20646290) is not available.
What is the SMILES notation for CID 20646290?
The canonical SMILES for CID 20646290 is C=C(C)[B]C(=C)C.
What is the InChIKey of CID 20646290?
The InChIKey is BHIKNPPJCCEJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10B/c1-5(2)7-6(3)4/h1,3H2,2,4H3.
What are the key properties of CID 20646290?
CID 20646290 has a molecular weight of 92.96 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20646290 is sourced from PubChem (CID 20646290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).