CID 89383756

C11H20BO2 — CID 89383756

IUPAC—
SMILES[B]=COC(=O)C(C)(CC(C)C)C(C)C
InChIInChI=1S/C11H20BO2/c1-8(2)6-11(5,9(3)4)10(13)14-7-12/h7-9H,6H2,1-5H3
InChIKeyXCRQBXOCIHCXLI-UHFFFAOYSA-N
MW195.09 g/mol
LogP2.17
Rot. Bonds5

About CID 89383756

CID 89383756 (PubChem CID 89383756) has the molecular formula C11H20BO2 and a molecular weight of 195.09 g/mol.

Molecular Properties

Compound NameCID 89383756
PubChem CID89383756
Molecular FormulaC11H20BO2
Molecular Weight195.09 g/mol
Exact Mass195.16
IUPAC Name—
SMILES[B]=COC(=O)C(C)(CC(C)C)C(C)C
InChIInChI=1S/C11H20BO2/c1-8(2)6-11(5,9(3)4)10(13)14-7-12/h7-9H,6H2,1-5H3
InChIKeyXCRQBXOCIHCXLI-UHFFFAOYSA-N
XLogP2.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.09
LogP ≤ 52.17
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 89383756?
The IUPAC name of CID 89383756 (CID 89383756) is not available.
What is the SMILES notation for CID 89383756?
The canonical SMILES for CID 89383756 is [B]=COC(=O)C(C)(CC(C)C)C(C)C.
What is the InChIKey of CID 89383756?
The InChIKey is XCRQBXOCIHCXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BO2/c1-8(2)6-11(5,9(3)4)10(13)14-7-12/h7-9H,6H2,1-5H3.
What are the key properties of CID 89383756?
CID 89383756 has a molecular weight of 195.09 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89383756 is sourced from PubChem (CID 89383756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).