CID 70875232

C11H21BNO2 — CID 70875232

IUPAC—
SMILESCC(C)(O)C(C)(C)O[B]C1=CCNCC1
InChIInChI=1S/C11H21BNO2/c1-10(2,14)11(3,4)15-12-9-5-7-13-8-6-9/h5,13-14H,6-8H2,1-4H3
InChIKeyAAYWYTMLQHYYLF-UHFFFAOYSA-N
MW210.11 g/mol
LogP1.05
Rot. Bonds4

About CID 70875232

CID 70875232 (PubChem CID 70875232) has the molecular formula C11H21BNO2 and a molecular weight of 210.11 g/mol.

Molecular Properties

Compound NameCID 70875232
PubChem CID70875232
Molecular FormulaC11H21BNO2
Molecular Weight210.11 g/mol
Exact Mass210.17
IUPAC Name—
SMILESCC(C)(O)C(C)(C)O[B]C1=CCNCC1
InChIInChI=1S/C11H21BNO2/c1-10(2,14)11(3,4)15-12-9-5-7-13-8-6-9/h5,13-14H,6-8H2,1-4H3
InChIKeyAAYWYTMLQHYYLF-UHFFFAOYSA-N
XLogP1.05
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.11
LogP ≤ 51.05
H-Bond Donors ≤ 52
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 70875232?
The IUPAC name of CID 70875232 (CID 70875232) is not available.
What is the SMILES notation for CID 70875232?
The canonical SMILES for CID 70875232 is CC(C)(O)C(C)(C)O[B]C1=CCNCC1.
What is the InChIKey of CID 70875232?
The InChIKey is AAYWYTMLQHYYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BNO2/c1-10(2,14)11(3,4)15-12-9-5-7-13-8-6-9/h5,13-14H,6-8H2,1-4H3.
What are the key properties of CID 70875232?
CID 70875232 has a molecular weight of 210.11 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70875232 is sourced from PubChem (CID 70875232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).