CID 59317234

C11H21BO2 — CID 59317234

IUPAC—
SMILES[B][C@H]1C[C@@H](C(C)C)[C@@H](COC(C)C)O1
InChIInChI=1S/C11H21BO2/c1-7(2)9-5-11(12)14-10(9)6-13-8(3)4/h7-11H,5-6H2,1-4H3/t9-,10+,11+/m0/s1
InChIKeyHSYHYHIQGIZFIX-HBNTYKKESA-N
MW196.10 g/mol
LogP1.97
Rot. Bonds4

About CID 59317234

CID 59317234 (PubChem CID 59317234) has the molecular formula C11H21BO2 and a molecular weight of 196.10 g/mol.

Molecular Properties

Compound NameCID 59317234
PubChem CID59317234
Molecular FormulaC11H21BO2
Molecular Weight196.10 g/mol
Exact Mass196.16
IUPAC Name—
SMILES[B][C@H]1C[C@@H](C(C)C)[C@@H](COC(C)C)O1
InChIInChI=1S/C11H21BO2/c1-7(2)9-5-11(12)14-10(9)6-13-8(3)4/h7-11H,5-6H2,1-4H3/t9-,10+,11+/m0/s1
InChIKeyHSYHYHIQGIZFIX-HBNTYKKESA-N
XLogP1.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.10
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 59317234 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 59317234?
The IUPAC name of CID 59317234 (CID 59317234) is not available.
What is the SMILES notation for CID 59317234?
The canonical SMILES for CID 59317234 is [B][C@H]1C[C@@H](C(C)C)[C@@H](COC(C)C)O1.
What is the InChIKey of CID 59317234?
The InChIKey is HSYHYHIQGIZFIX-HBNTYKKESA-N. The full InChI is InChI=1S/C11H21BO2/c1-7(2)9-5-11(12)14-10(9)6-13-8(3)4/h7-11H,5-6H2,1-4H3/t9-,10+,11+/m0/s1.
What are the key properties of CID 59317234?
CID 59317234 has a molecular weight of 196.10 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59317234 is sourced from PubChem (CID 59317234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).