CID 89330599

C11H21BO3 — CID 89330599

IUPAC—
SMILES[B][C@@H]1O[C@](CC)(COC)[C@@H](CC)[C@H]1OC
InChIInChI=1S/C11H21BO3/c1-5-8-9(14-4)10(12)15-11(8,6-2)7-13-3/h8-10H,5-7H2,1-4H3/t8-,9+,10+,11+/m0/s1
InChIKeyFKFLCPSQKCWSAQ-LNFKQOIKSA-N
MW212.10 g/mol
LogP1.35
Rot. Bonds5

About CID 89330599

CID 89330599 (PubChem CID 89330599) has the molecular formula C11H21BO3 and a molecular weight of 212.10 g/mol.

Molecular Properties

Compound NameCID 89330599
PubChem CID89330599
Molecular FormulaC11H21BO3
Molecular Weight212.10 g/mol
Exact Mass212.16
IUPAC Name—
SMILES[B][C@@H]1O[C@](CC)(COC)[C@@H](CC)[C@H]1OC
InChIInChI=1S/C11H21BO3/c1-5-8-9(14-4)10(12)15-11(8,6-2)7-13-3/h8-10H,5-7H2,1-4H3/t8-,9+,10+,11+/m0/s1
InChIKeyFKFLCPSQKCWSAQ-LNFKQOIKSA-N
XLogP1.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.10
LogP ≤ 51.35
H-Bond Donors ≤ 50
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 89330599?
The IUPAC name of CID 89330599 (CID 89330599) is not available.
What is the SMILES notation for CID 89330599?
The canonical SMILES for CID 89330599 is [B][C@@H]1O[C@](CC)(COC)[C@@H](CC)[C@H]1OC.
What is the InChIKey of CID 89330599?
The InChIKey is FKFLCPSQKCWSAQ-LNFKQOIKSA-N. The full InChI is InChI=1S/C11H21BO3/c1-5-8-9(14-4)10(12)15-11(8,6-2)7-13-3/h8-10H,5-7H2,1-4H3/t8-,9+,10+,11+/m0/s1.
What are the key properties of CID 89330599?
CID 89330599 has a molecular weight of 212.10 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89330599 is sourced from PubChem (CID 89330599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).