CID 174684827

C4H10BO2 — CID 174684827

IUPAC—
SMILESCCO[B]C(C)O
InChIInChI=1S/C4H10BO2/c1-3-7-5-4(2)6/h4,6H,3H2,1-2H3
InChIKeyUAPGFFDTNOSXJT-UHFFFAOYSA-N
MW100.93 g/mol
LogP-0.02
Rot. Bonds3

About CID 174684827

CID 174684827 (PubChem CID 174684827) has the molecular formula C4H10BO2 and a molecular weight of 100.93 g/mol.

Molecular Properties

Compound NameCID 174684827
PubChem CID174684827
Molecular FormulaC4H10BO2
Molecular Weight100.93 g/mol
Exact Mass101.08
IUPAC Name—
SMILESCCO[B]C(C)O
InChIInChI=1S/C4H10BO2/c1-3-7-5-4(2)6/h4,6H,3H2,1-2H3
InChIKeyUAPGFFDTNOSXJT-UHFFFAOYSA-N
XLogP-0.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.93
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
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 174684827?
The IUPAC name of CID 174684827 (CID 174684827) is not available.
What is the SMILES notation for CID 174684827?
The canonical SMILES for CID 174684827 is CCO[B]C(C)O.
What is the InChIKey of CID 174684827?
The InChIKey is UAPGFFDTNOSXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10BO2/c1-3-7-5-4(2)6/h4,6H,3H2,1-2H3.
What are the key properties of CID 174684827?
CID 174684827 has a molecular weight of 100.93 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174684827 is sourced from PubChem (CID 174684827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).