CID 88533246

C11H21BO4 — CID 88533246

IUPAC—
SMILES[B][C@@H]1O[C@H](CC)[C@H](O)C1O[C@H](C)[C@H](C)OC
InChIInChI=1S/C11H21BO4/c1-5-8-9(13)10(11(12)16-8)15-7(3)6(2)14-4/h6-11,13H,5H2,1-4H3/t6-,7+,8+,9-,10?,11+/m0/s1
InChIKeyHTPYZKLXBARMFV-RWJDOSFMSA-N
MW228.10 g/mol
LogP0.46
Rot. Bonds5

About CID 88533246

CID 88533246 (PubChem CID 88533246) has the molecular formula C11H21BO4 and a molecular weight of 228.10 g/mol.

Molecular Properties

Compound NameCID 88533246
PubChem CID88533246
Molecular FormulaC11H21BO4
Molecular Weight228.10 g/mol
Exact Mass228.15
IUPAC Name—
SMILES[B][C@@H]1O[C@H](CC)[C@H](O)C1O[C@H](C)[C@H](C)OC
InChIInChI=1S/C11H21BO4/c1-5-8-9(13)10(11(12)16-8)15-7(3)6(2)14-4/h6-11,13H,5H2,1-4H3/t6-,7+,8+,9-,10?,11+/m0/s1
InChIKeyHTPYZKLXBARMFV-RWJDOSFMSA-N
XLogP0.46
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.10
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 88533246?
The IUPAC name of CID 88533246 (CID 88533246) is not available.
What is the SMILES notation for CID 88533246?
The canonical SMILES for CID 88533246 is [B][C@@H]1O[C@H](CC)[C@H](O)C1O[C@H](C)[C@H](C)OC.
What is the InChIKey of CID 88533246?
The InChIKey is HTPYZKLXBARMFV-RWJDOSFMSA-N. The full InChI is InChI=1S/C11H21BO4/c1-5-8-9(13)10(11(12)16-8)15-7(3)6(2)14-4/h6-11,13H,5H2,1-4H3/t6-,7+,8+,9-,10?,11+/m0/s1.
What are the key properties of CID 88533246?
CID 88533246 has a molecular weight of 228.10 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88533246 is sourced from PubChem (CID 88533246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).