CID 59991811

C9H20B — CID 59991811

IUPAC—
SMILESCC(C)(C)[B]CC(C)(C)C
InChIInChI=1S/C9H20B/c1-8(2,3)7-10-9(4,5)6/h7H2,1-6H3
InChIKeyAGMGABIRXJOBJW-UHFFFAOYSA-N
MW139.07 g/mol
LogP3.37
Rot. Bonds1

About CID 59991811

CID 59991811 (PubChem CID 59991811) has the molecular formula C9H20B and a molecular weight of 139.07 g/mol.

Molecular Properties

Compound NameCID 59991811
PubChem CID59991811
Molecular FormulaC9H20B
Molecular Weight139.07 g/mol
Exact Mass139.17
IUPAC Name—
SMILESCC(C)(C)[B]CC(C)(C)C
InChIInChI=1S/C9H20B/c1-8(2,3)7-10-9(4,5)6/h7H2,1-6H3
InChIKeyAGMGABIRXJOBJW-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.07
LogP ≤ 53.37
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 59991811?
The IUPAC name of CID 59991811 (CID 59991811) is not available.
What is the SMILES notation for CID 59991811?
The canonical SMILES for CID 59991811 is CC(C)(C)[B]CC(C)(C)C.
What is the InChIKey of CID 59991811?
The InChIKey is AGMGABIRXJOBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20B/c1-8(2,3)7-10-9(4,5)6/h7H2,1-6H3.
What are the key properties of CID 59991811?
CID 59991811 has a molecular weight of 139.07 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59991811 is sourced from PubChem (CID 59991811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).