CID 156647318

C16H24BNO3 — CID 156647318

IUPAC—
SMILES[B]C(O)(CNC(C)(C)C)c1ccc2c(c1)COC(C)(C)O2
InChIInChI=1S/C16H24BNO3/c1-14(2,3)18-10-16(17,19)12-6-7-13-11(8-12)9-20-15(4,5)21-13/h6-8,18-19H,9-10H2,1-5H3
InChIKeyOCMUGTNFUONJDI-UHFFFAOYSA-N
MW289.18 g/mol
LogP2.03
Rot. Bonds3

About CID 156647318

CID 156647318 (PubChem CID 156647318) has the molecular formula C16H24BNO3 and a molecular weight of 289.18 g/mol.

Molecular Properties

Compound NameCID 156647318
PubChem CID156647318
Molecular FormulaC16H24BNO3
Molecular Weight289.18 g/mol
Exact Mass289.18
IUPAC Name—
SMILES[B]C(O)(CNC(C)(C)C)c1ccc2c(c1)COC(C)(C)O2
InChIInChI=1S/C16H24BNO3/c1-14(2,3)18-10-16(17,19)12-6-7-13-11(8-12)9-20-15(4,5)21-13/h6-8,18-19H,9-10H2,1-5H3
InChIKeyOCMUGTNFUONJDI-UHFFFAOYSA-N
XLogP2.03
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 52.03
H-Bond Donors ≤ 52
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 156647318?
The IUPAC name of CID 156647318 (CID 156647318) is not available.
What is the SMILES notation for CID 156647318?
The canonical SMILES for CID 156647318 is [B]C(O)(CNC(C)(C)C)c1ccc2c(c1)COC(C)(C)O2.
What is the InChIKey of CID 156647318?
The InChIKey is OCMUGTNFUONJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BNO3/c1-14(2,3)18-10-16(17,19)12-6-7-13-11(8-12)9-20-15(4,5)21-13/h6-8,18-19H,9-10H2,1-5H3.
What are the key properties of CID 156647318?
CID 156647318 has a molecular weight of 289.18 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156647318 is sourced from PubChem (CID 156647318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).