CID 163664443

C15H25BNO4 — CID 163664443

IUPAC—
SMILESCC[B]C1CN(C(=O)OC(C)(C)C)CC(C(=O)OC)=C1C
InChIInChI=1S/C15H25BNO4/c1-7-16-12-9-17(14(19)21-15(3,4)5)8-11(10(12)2)13(18)20-6/h12H,7-9H2,1-6H3
InChIKeyQMAOCIILQZLLHU-UHFFFAOYSA-N
MW294.18 g/mol
LogP2.66
Rot. Bonds3

About CID 163664443

CID 163664443 (PubChem CID 163664443) has the molecular formula C15H25BNO4 and a molecular weight of 294.18 g/mol.

Molecular Properties

Compound NameCID 163664443
PubChem CID163664443
Molecular FormulaC15H25BNO4
Molecular Weight294.18 g/mol
Exact Mass294.19
IUPAC Name—
SMILESCC[B]C1CN(C(=O)OC(C)(C)C)CC(C(=O)OC)=C1C
InChIInChI=1S/C15H25BNO4/c1-7-16-12-9-17(14(19)21-15(3,4)5)8-11(10(12)2)13(18)20-6/h12H,7-9H2,1-6H3
InChIKeyQMAOCIILQZLLHU-UHFFFAOYSA-N
XLogP2.66
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 52.66
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 163664443?
The IUPAC name of CID 163664443 (CID 163664443) is not available.
What is the SMILES notation for CID 163664443?
The canonical SMILES for CID 163664443 is CC[B]C1CN(C(=O)OC(C)(C)C)CC(C(=O)OC)=C1C.
What is the InChIKey of CID 163664443?
The InChIKey is QMAOCIILQZLLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BNO4/c1-7-16-12-9-17(14(19)21-15(3,4)5)8-11(10(12)2)13(18)20-6/h12H,7-9H2,1-6H3.
What are the key properties of CID 163664443?
CID 163664443 has a molecular weight of 294.18 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163664443 is sourced from PubChem (CID 163664443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).