CID 20672908

C15H22BNO — CID 20672908

IUPAC—
SMILES[B]OC(=c1c(C)cc(=C)cc1C)C(C)(C)N(C)C
InChIInChI=1S/C15H22BNO/c1-10-8-11(2)13(12(3)9-10)14(18-16)15(4,5)17(6)7/h8-9H,1H2,2-7H3
InChIKeyOBVWUIWOXXSREF-UHFFFAOYSA-N
MW243.16 g/mol
LogP1.26
Rot. Bonds3

About CID 20672908

CID 20672908 (PubChem CID 20672908) has the molecular formula C15H22BNO and a molecular weight of 243.16 g/mol.

Molecular Properties

Compound NameCID 20672908
PubChem CID20672908
Molecular FormulaC15H22BNO
Molecular Weight243.16 g/mol
Exact Mass243.18
IUPAC Name—
SMILES[B]OC(=c1c(C)cc(=C)cc1C)C(C)(C)N(C)C
InChIInChI=1S/C15H22BNO/c1-10-8-11(2)13(12(3)9-10)14(18-16)15(4,5)17(6)7/h8-9H,1H2,2-7H3
InChIKeyOBVWUIWOXXSREF-UHFFFAOYSA-N
XLogP1.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.16
LogP ≤ 51.26
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 20672908?
The IUPAC name of CID 20672908 (CID 20672908) is not available.
What is the SMILES notation for CID 20672908?
The canonical SMILES for CID 20672908 is [B]OC(=c1c(C)cc(=C)cc1C)C(C)(C)N(C)C.
What is the InChIKey of CID 20672908?
The InChIKey is OBVWUIWOXXSREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BNO/c1-10-8-11(2)13(12(3)9-10)14(18-16)15(4,5)17(6)7/h8-9H,1H2,2-7H3.
What are the key properties of CID 20672908?
CID 20672908 has a molecular weight of 243.16 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20672908 is sourced from PubChem (CID 20672908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).