CID 167395462

C10H17BNO3 — CID 167395462

IUPAC—
SMILESCc1cc([B]OC(C)(C)C(C)(C)O)on1
InChIInChI=1S/C10H17BNO3/c1-7-6-8(14-12-7)11-15-10(4,5)9(2,3)13/h6,13H,1-5H3
InChIKeyGLTACKJNMBVRKO-UHFFFAOYSA-N
MW210.06 g/mol
LogP0.79
Rot. Bonds4

About CID 167395462

CID 167395462 (PubChem CID 167395462) has the molecular formula C10H17BNO3 and a molecular weight of 210.06 g/mol.

Molecular Properties

Compound NameCID 167395462
PubChem CID167395462
Molecular FormulaC10H17BNO3
Molecular Weight210.06 g/mol
Exact Mass210.13
IUPAC Name—
SMILESCc1cc([B]OC(C)(C)C(C)(C)O)on1
InChIInChI=1S/C10H17BNO3/c1-7-6-8(14-12-7)11-15-10(4,5)9(2,3)13/h6,13H,1-5H3
InChIKeyGLTACKJNMBVRKO-UHFFFAOYSA-N
XLogP0.79
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.06
LogP ≤ 50.79
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 167395462?
The IUPAC name of CID 167395462 (CID 167395462) is not available.
What is the SMILES notation for CID 167395462?
The canonical SMILES for CID 167395462 is Cc1cc([B]OC(C)(C)C(C)(C)O)on1.
What is the InChIKey of CID 167395462?
The InChIKey is GLTACKJNMBVRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BNO3/c1-7-6-8(14-12-7)11-15-10(4,5)9(2,3)13/h6,13H,1-5H3.
What are the key properties of CID 167395462?
CID 167395462 has a molecular weight of 210.06 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167395462 is sourced from PubChem (CID 167395462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).