CID 59968610

C6H11BO3 — CID 59968610

IUPAC—
SMILES[B][C@H]1CC(O)[C@@H](COC)O1
InChIInChI=1S/C6H11BO3/c1-9-3-5-4(8)2-6(7)10-5/h4-6,8H,2-3H2,1H3/t4?,5-,6-/m1/s1
InChIKeyLNGJTNMXDXPHQW-YSLANXFLSA-N
MW141.96 g/mol
LogP-0.72
Rot. Bonds2

About CID 59968610

CID 59968610 (PubChem CID 59968610) has the molecular formula C6H11BO3 and a molecular weight of 141.96 g/mol.

Molecular Properties

Compound NameCID 59968610
PubChem CID59968610
Molecular FormulaC6H11BO3
Molecular Weight141.96 g/mol
Exact Mass142.08
IUPAC Name—
SMILES[B][C@H]1CC(O)[C@@H](COC)O1
InChIInChI=1S/C6H11BO3/c1-9-3-5-4(8)2-6(7)10-5/h4-6,8H,2-3H2,1H3/t4?,5-,6-/m1/s1
InChIKeyLNGJTNMXDXPHQW-YSLANXFLSA-N
XLogP-0.72
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.96
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

CID 90136214
CID 90136214
CID 59914550
CID 59914550
CID 59996261
CID 59996261
(2R,3S,5S)-5-methoxy-2-(methoxymethyl)oxolan-3-ol
CID 130763870
(2R,3S,5R)-5-methoxy-2-(methoxymethyl)oxolan-3-ol
CID 130763871
CID 169286240
CID 169286240
CID 166590049
CID 166590049
CID 90304851
CID 90304851
CID 59264388
CID 59264388
2-(hydroxymethyl)-5-(methoxymethyl)oxolan-3-ol
CID 129257886
CID 89240141
CID 89240141
CID 140657879
CID 140657879

Frequently Asked Questions

What is the IUPAC name of CID 59968610?
The IUPAC name of CID 59968610 (CID 59968610) is not available.
What is the SMILES notation for CID 59968610?
The canonical SMILES for CID 59968610 is [B][C@H]1CC(O)[C@@H](COC)O1.
What is the InChIKey of CID 59968610?
The InChIKey is LNGJTNMXDXPHQW-YSLANXFLSA-N. The full InChI is InChI=1S/C6H11BO3/c1-9-3-5-4(8)2-6(7)10-5/h4-6,8H,2-3H2,1H3/t4?,5-,6-/m1/s1.
What are the key properties of CID 59968610?
CID 59968610 has a molecular weight of 141.96 g/mol, XLogP of -0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59968610 is sourced from PubChem (CID 59968610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).