CID 162410126

C17H26BNO2 — CID 162410126

IUPAC—
SMILESCN1CCCC1.[B][C@@H](C(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C12H15BO2.C5H11N/c1-12(2,3)15-11(14)10(13)9-7-5-4-6-8-9;1-6-4-2-3-5-6/h4-8,10H,1-3H3;2-5H2,1H3/t10-;/m1./s1
InChIKeyKUGIWJMCNZFXQX-HNCPQSOCSA-N
MW287.21 g/mol
LogP2.95
Rot. Bonds2

About CID 162410126

CID 162410126 (PubChem CID 162410126) has the molecular formula C17H26BNO2 and a molecular weight of 287.21 g/mol.

Molecular Properties

Compound NameCID 162410126
PubChem CID162410126
Molecular FormulaC17H26BNO2
Molecular Weight287.21 g/mol
Exact Mass287.21
IUPAC Name—
SMILESCN1CCCC1.[B][C@@H](C(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C12H15BO2.C5H11N/c1-12(2,3)15-11(14)10(13)9-7-5-4-6-8-9;1-6-4-2-3-5-6/h4-8,10H,1-3H3;2-5H2,1H3/t10-;/m1./s1
InChIKeyKUGIWJMCNZFXQX-HNCPQSOCSA-N
XLogP2.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.21
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 162410126?
The IUPAC name of CID 162410126 (CID 162410126) is not available.
What is the SMILES notation for CID 162410126?
The canonical SMILES for CID 162410126 is CN1CCCC1.[B][C@@H](C(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of CID 162410126?
The InChIKey is KUGIWJMCNZFXQX-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H15BO2.C5H11N/c1-12(2,3)15-11(14)10(13)9-7-5-4-6-8-9;1-6-4-2-3-5-6/h4-8,10H,1-3H3;2-5H2,1H3/t10-;/m1./s1.
What are the key properties of CID 162410126?
CID 162410126 has a molecular weight of 287.21 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162410126 is sourced from PubChem (CID 162410126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).