CID 174023912

C17H29BNO2 — CID 174023912

IUPAC—
SMILESCC(C)N1C(=O)OC2CC3[B]C(C(C)C)(CCCCC21)C3
InChIInChI=1S/C17H29BNO2/c1-11(2)17-8-6-5-7-14-15(9-13(10-17)18-17)21-16(20)19(14)12(3)4/h11-15H,5-10H2,1-4H3
InChIKeyUWLBQPIPIZYZAO-UHFFFAOYSA-N
MW290.24 g/mol
LogP4.26
Rot. Bonds2

About CID 174023912

CID 174023912 (PubChem CID 174023912) has the molecular formula C17H29BNO2 and a molecular weight of 290.24 g/mol.

Molecular Properties

Compound NameCID 174023912
PubChem CID174023912
Molecular FormulaC17H29BNO2
Molecular Weight290.24 g/mol
Exact Mass290.23
IUPAC Name—
SMILESCC(C)N1C(=O)OC2CC3[B]C(C(C)C)(CCCCC21)C3
InChIInChI=1S/C17H29BNO2/c1-11(2)17-8-6-5-7-14-15(9-13(10-17)18-17)21-16(20)19(14)12(3)4/h11-15H,5-10H2,1-4H3
InChIKeyUWLBQPIPIZYZAO-UHFFFAOYSA-N
XLogP4.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 174023912?
The IUPAC name of CID 174023912 (CID 174023912) is not available.
What is the SMILES notation for CID 174023912?
The canonical SMILES for CID 174023912 is CC(C)N1C(=O)OC2CC3[B]C(C(C)C)(CCCCC21)C3.
What is the InChIKey of CID 174023912?
The InChIKey is UWLBQPIPIZYZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29BNO2/c1-11(2)17-8-6-5-7-14-15(9-13(10-17)18-17)21-16(20)19(14)12(3)4/h11-15H,5-10H2,1-4H3.
What are the key properties of CID 174023912?
CID 174023912 has a molecular weight of 290.24 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174023912 is sourced from PubChem (CID 174023912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).