CID 59775692

C7H13BO3 — CID 59775692

IUPAC—
SMILES[B][C@H]1C[C@@H](OC)[C@@H](COC)O1
InChIInChI=1S/C7H13BO3/c1-9-4-6-5(10-2)3-7(8)11-6/h5-7H,3-4H2,1-2H3/t5-,6-,7-/m1/s1
InChIKeyPVWMFKJITSIQLS-FSDSQADBSA-N
MW155.99 g/mol
LogP-0.07
Rot. Bonds3

About CID 59775692

CID 59775692 (PubChem CID 59775692) has the molecular formula C7H13BO3 and a molecular weight of 155.99 g/mol.

Molecular Properties

Compound NameCID 59775692
PubChem CID59775692
Molecular FormulaC7H13BO3
Molecular Weight155.99 g/mol
Exact Mass156.10
IUPAC Name—
SMILES[B][C@H]1C[C@@H](OC)[C@@H](COC)O1
InChIInChI=1S/C7H13BO3/c1-9-4-6-5(10-2)3-7(8)11-6/h5-7H,3-4H2,1-2H3/t5-,6-,7-/m1/s1
InChIKeyPVWMFKJITSIQLS-FSDSQADBSA-N
XLogP-0.07
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.99
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 59775692?
The IUPAC name of CID 59775692 (CID 59775692) is not available.
What is the SMILES notation for CID 59775692?
The canonical SMILES for CID 59775692 is [B][C@H]1C[C@@H](OC)[C@@H](COC)O1.
What is the InChIKey of CID 59775692?
The InChIKey is PVWMFKJITSIQLS-FSDSQADBSA-N. The full InChI is InChI=1S/C7H13BO3/c1-9-4-6-5(10-2)3-7(8)11-6/h5-7H,3-4H2,1-2H3/t5-,6-,7-/m1/s1.
What are the key properties of CID 59775692?
CID 59775692 has a molecular weight of 155.99 g/mol, XLogP of -0.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59775692 is sourced from PubChem (CID 59775692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).