CID 88960710

C10H15BO4 — CID 88960710

IUPAC—
SMILES[B][C@@H](O)CC[C@@H]1[C@H]2CC(=O)O[C@H]2C[C@H]1O
InChIInChI=1S/C10H15BO4/c11-9(13)2-1-5-6-3-10(14)15-8(6)4-7(5)12/h5-9,12-13H,1-4H2/t5-,6-,7-,8+,9+/m1/s1
InChIKeyGKJNBBAIBNZSEV-HXLXBVJFSA-N
MW210.04 g/mol
LogP-0.43
Rot. Bonds3

About CID 88960710

CID 88960710 (PubChem CID 88960710) has the molecular formula C10H15BO4 and a molecular weight of 210.04 g/mol.

Molecular Properties

Compound NameCID 88960710
PubChem CID88960710
Molecular FormulaC10H15BO4
Molecular Weight210.04 g/mol
Exact Mass210.11
IUPAC Name—
SMILES[B][C@@H](O)CC[C@@H]1[C@H]2CC(=O)O[C@H]2C[C@H]1O
InChIInChI=1S/C10H15BO4/c11-9(13)2-1-5-6-3-10(14)15-8(6)4-7(5)12/h5-9,12-13H,1-4H2/t5-,6-,7-,8+,9+/m1/s1
InChIKeyGKJNBBAIBNZSEV-HXLXBVJFSA-N
XLogP-0.43
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.04
LogP ≤ 5-0.43
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 88960710?
The IUPAC name of CID 88960710 (CID 88960710) is not available.
What is the SMILES notation for CID 88960710?
The canonical SMILES for CID 88960710 is [B][C@@H](O)CC[C@@H]1[C@H]2CC(=O)O[C@H]2C[C@H]1O.
What is the InChIKey of CID 88960710?
The InChIKey is GKJNBBAIBNZSEV-HXLXBVJFSA-N. The full InChI is InChI=1S/C10H15BO4/c11-9(13)2-1-5-6-3-10(14)15-8(6)4-7(5)12/h5-9,12-13H,1-4H2/t5-,6-,7-,8+,9+/m1/s1.
What are the key properties of CID 88960710?
CID 88960710 has a molecular weight of 210.04 g/mol, XLogP of -0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88960710 is sourced from PubChem (CID 88960710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).