CID 155885641

C11H20BO3 — CID 155885641

IUPAC—
SMILES[CH2]C(C)(O)/C=C/B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H20BO3/c1-9(2,13)7-8-12-14-10(3,4)11(5,6)15-12/h7-8,13H,1H2,2-6H3/b8-7+
InChIKeyWBFKUMJQYBBQRU-BQYQJAHWSA-N
MW211.09 g/mol
LogP1.76
Rot. Bonds2

About CID 155885641

CID 155885641 (PubChem CID 155885641) has the molecular formula C11H20BO3 and a molecular weight of 211.09 g/mol.

Molecular Properties

Compound NameCID 155885641
PubChem CID155885641
Molecular FormulaC11H20BO3
Molecular Weight211.09 g/mol
Exact Mass211.15
IUPAC Name—
SMILES[CH2]C(C)(O)/C=C/B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H20BO3/c1-9(2,13)7-8-12-14-10(3,4)11(5,6)15-12/h7-8,13H,1H2,2-6H3/b8-7+
InChIKeyWBFKUMJQYBBQRU-BQYQJAHWSA-N
XLogP1.76
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.09
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 155885641?
The IUPAC name of CID 155885641 (CID 155885641) is not available.
What is the SMILES notation for CID 155885641?
The canonical SMILES for CID 155885641 is [CH2]C(C)(O)/C=C/B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of CID 155885641?
The InChIKey is WBFKUMJQYBBQRU-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H20BO3/c1-9(2,13)7-8-12-14-10(3,4)11(5,6)15-12/h7-8,13H,1H2,2-6H3/b8-7+.
What are the key properties of CID 155885641?
CID 155885641 has a molecular weight of 211.09 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155885641 is sourced from PubChem (CID 155885641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).