CID 59248124

C11H15BO2 — CID 59248124

IUPAC—
SMILES[B][C@@H]1C[C@](C=C=C)(CO)[C@H](O)C12CC2
InChIInChI=1S/C11H15BO2/c1-2-3-10(7-13)6-8(12)11(4-5-11)9(10)14/h3,8-9,13-14H,1,4-7H2/t8-,9+,10-/m1/s1
InChIKeyOVMANCRKOFQUNY-KXUCPTDWSA-N
MW190.05 g/mol
LogP0.81
Rot. Bonds2

About CID 59248124

CID 59248124 (PubChem CID 59248124) has the molecular formula C11H15BO2 and a molecular weight of 190.05 g/mol.

Molecular Properties

Compound NameCID 59248124
PubChem CID59248124
Molecular FormulaC11H15BO2
Molecular Weight190.05 g/mol
Exact Mass190.12
IUPAC Name—
SMILES[B][C@@H]1C[C@](C=C=C)(CO)[C@H](O)C12CC2
InChIInChI=1S/C11H15BO2/c1-2-3-10(7-13)6-8(12)11(4-5-11)9(10)14/h3,8-9,13-14H,1,4-7H2/t8-,9+,10-/m1/s1
InChIKeyOVMANCRKOFQUNY-KXUCPTDWSA-N
XLogP0.81
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.05
LogP ≤ 50.81
H-Bond Donors ≤ 52
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 59248124?
The IUPAC name of CID 59248124 (CID 59248124) is not available.
What is the SMILES notation for CID 59248124?
The canonical SMILES for CID 59248124 is [B][C@@H]1C[C@](C=C=C)(CO)[C@H](O)C12CC2.
What is the InChIKey of CID 59248124?
The InChIKey is OVMANCRKOFQUNY-KXUCPTDWSA-N. The full InChI is InChI=1S/C11H15BO2/c1-2-3-10(7-13)6-8(12)11(4-5-11)9(10)14/h3,8-9,13-14H,1,4-7H2/t8-,9+,10-/m1/s1.
What are the key properties of CID 59248124?
CID 59248124 has a molecular weight of 190.05 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59248124 is sourced from PubChem (CID 59248124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).