CID 89049639

C6H11BO — CID 89049639

IUPAC—
SMILES[B][C@H]1CCC(C)(C)O1
InChIInChI=1S/C6H11BO/c1-6(2)4-3-5(7)8-6/h5H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyOUAFSTLKMGCSSP-RXMQYKEDSA-N
MW109.96 g/mol
LogP1.07
Rot. Bonds

About CID 89049639

CID 89049639 (PubChem CID 89049639) has the molecular formula C6H11BO and a molecular weight of 109.96 g/mol.

Molecular Properties

Compound NameCID 89049639
PubChem CID89049639
Molecular FormulaC6H11BO
Molecular Weight109.96 g/mol
Exact Mass110.09
IUPAC Name—
SMILES[B][C@H]1CCC(C)(C)O1
InChIInChI=1S/C6H11BO/c1-6(2)4-3-5(7)8-6/h5H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyOUAFSTLKMGCSSP-RXMQYKEDSA-N
XLogP1.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.96
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 89049639?
The IUPAC name of CID 89049639 (CID 89049639) is not available.
What is the SMILES notation for CID 89049639?
The canonical SMILES for CID 89049639 is [B][C@H]1CCC(C)(C)O1.
What is the InChIKey of CID 89049639?
The InChIKey is OUAFSTLKMGCSSP-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H11BO/c1-6(2)4-3-5(7)8-6/h5H,3-4H2,1-2H3/t5-/m1/s1.
What are the key properties of CID 89049639?
CID 89049639 has a molecular weight of 109.96 g/mol, XLogP of 1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89049639 is sourced from PubChem (CID 89049639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).