CID 54562154

C7H13BO3 — CID 54562154

IUPAC—
SMILES[B]C1OC(COC)C(O)C1C
InChIInChI=1S/C7H13BO3/c1-4-6(9)5(3-10-2)11-7(4)8/h4-7,9H,3H2,1-2H3
InChIKeyOUKQSHFFAVKAPW-UHFFFAOYSA-N
MW155.99 g/mol
LogP-0.48
Rot. Bonds2

About CID 54562154

CID 54562154 (PubChem CID 54562154) has the molecular formula C7H13BO3 and a molecular weight of 155.99 g/mol.

Molecular Properties

Compound NameCID 54562154
PubChem CID54562154
Molecular FormulaC7H13BO3
Molecular Weight155.99 g/mol
Exact Mass156.10
IUPAC Name—
SMILES[B]C1OC(COC)C(O)C1C
InChIInChI=1S/C7H13BO3/c1-4-6(9)5(3-10-2)11-7(4)8/h4-7,9H,3H2,1-2H3
InChIKeyOUKQSHFFAVKAPW-UHFFFAOYSA-N
XLogP-0.48
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.99
LogP ≤ 5-0.48
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

5,5-Dimethyloxolan-3-ol
CID 34744
(4-Methyloxolan-2-yl)methanol
CID 14379827
rac-((2R,3S)-3-methyloxolan-2-yl)methanol
CID 137952016
2,2-Dimethyloxolan-3-ol
CID 13327310
CID 59804673
CID 59804673
CID 59905782
CID 59905782
CID 59914550
CID 59914550
CID 89046672
CID 89046672
CID 134854629
CID 134854629
CID 58681815
CID 58681815
CID 59267249
CID 59267249
CID 59892784
CID 59892784

Frequently Asked Questions

What is the IUPAC name of CID 54562154?
The IUPAC name of CID 54562154 (CID 54562154) is not available.
What is the SMILES notation for CID 54562154?
The canonical SMILES for CID 54562154 is [B]C1OC(COC)C(O)C1C.
What is the InChIKey of CID 54562154?
The InChIKey is OUKQSHFFAVKAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BO3/c1-4-6(9)5(3-10-2)11-7(4)8/h4-7,9H,3H2,1-2H3.
What are the key properties of CID 54562154?
CID 54562154 has a molecular weight of 155.99 g/mol, XLogP of -0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54562154 is sourced from PubChem (CID 54562154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).