CID 153454136

C10H17BO4 — CID 153454136

IUPAC—
SMILES[B][C@@H]1O[C@]2(COC)C(OC)[C@@H]1OC[C@H]2C
InChIInChI=1S/C10H17BO4/c1-6-4-14-7-8(13-3)10(6,5-12-2)15-9(7)11/h6-9H,4-5H2,1-3H3/t6-,7+,8?,9-,10+/m1/s1
InChIKeyQRIFOGWTRFLLKR-SEMOWUPXSA-N
MW212.05 g/mol
LogP-0.05
Rot. Bonds3

About CID 153454136

CID 153454136 (PubChem CID 153454136) has the molecular formula C10H17BO4 and a molecular weight of 212.05 g/mol.

Molecular Properties

Compound NameCID 153454136
PubChem CID153454136
Molecular FormulaC10H17BO4
Molecular Weight212.05 g/mol
Exact Mass212.12
IUPAC Name—
SMILES[B][C@@H]1O[C@]2(COC)C(OC)[C@@H]1OC[C@H]2C
InChIInChI=1S/C10H17BO4/c1-6-4-14-7-8(13-3)10(6,5-12-2)15-9(7)11/h6-9H,4-5H2,1-3H3/t6-,7+,8?,9-,10+/m1/s1
InChIKeyQRIFOGWTRFLLKR-SEMOWUPXSA-N
XLogP-0.05
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.05
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
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 153454136?
The IUPAC name of CID 153454136 (CID 153454136) is not available.
What is the SMILES notation for CID 153454136?
The canonical SMILES for CID 153454136 is [B][C@@H]1O[C@]2(COC)C(OC)[C@@H]1OC[C@H]2C.
What is the InChIKey of CID 153454136?
The InChIKey is QRIFOGWTRFLLKR-SEMOWUPXSA-N. The full InChI is InChI=1S/C10H17BO4/c1-6-4-14-7-8(13-3)10(6,5-12-2)15-9(7)11/h6-9H,4-5H2,1-3H3/t6-,7+,8?,9-,10+/m1/s1.
What are the key properties of CID 153454136?
CID 153454136 has a molecular weight of 212.05 g/mol, XLogP of -0.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153454136 is sourced from PubChem (CID 153454136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).