CID 59906669

C11H19BO3 — CID 59906669

IUPAC—
SMILES[B]C1(C)CC(C)(C)C(C)(COC(C)=O)O1
InChIInChI=1S/C11H19BO3/c1-8(13)14-7-10(4)9(2,3)6-11(5,12)15-10/h6-7H2,1-5H3
InChIKeyGBVUEFSCDCDBTN-UHFFFAOYSA-N
MW210.08 g/mol
LogP1.64
Rot. Bonds2

About CID 59906669

CID 59906669 (PubChem CID 59906669) has the molecular formula C11H19BO3 and a molecular weight of 210.08 g/mol.

Molecular Properties

Compound NameCID 59906669
PubChem CID59906669
Molecular FormulaC11H19BO3
Molecular Weight210.08 g/mol
Exact Mass210.14
IUPAC Name—
SMILES[B]C1(C)CC(C)(C)C(C)(COC(C)=O)O1
InChIInChI=1S/C11H19BO3/c1-8(13)14-7-10(4)9(2,3)6-11(5,12)15-10/h6-7H2,1-5H3
InChIKeyGBVUEFSCDCDBTN-UHFFFAOYSA-N
XLogP1.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.08
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 59906669?
The IUPAC name of CID 59906669 (CID 59906669) is not available.
What is the SMILES notation for CID 59906669?
The canonical SMILES for CID 59906669 is [B]C1(C)CC(C)(C)C(C)(COC(C)=O)O1.
What is the InChIKey of CID 59906669?
The InChIKey is GBVUEFSCDCDBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BO3/c1-8(13)14-7-10(4)9(2,3)6-11(5,12)15-10/h6-7H2,1-5H3.
What are the key properties of CID 59906669?
CID 59906669 has a molecular weight of 210.08 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59906669 is sourced from PubChem (CID 59906669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).