CID 19377162

C4H9BO2 — CID 19377162

IUPAC—
SMILES[B]C(C)(OC)OC
InChIInChI=1S/C4H9BO2/c1-4(5,6-2)7-3/h1-3H3
InChIKeyRKHGSQYRVBZKJY-UHFFFAOYSA-N
MW99.93 g/mol
LogP0.12
Rot. Bonds2

About CID 19377162

CID 19377162 (PubChem CID 19377162) has the molecular formula C4H9BO2 and a molecular weight of 99.93 g/mol.

Molecular Properties

Compound NameCID 19377162
PubChem CID19377162
Molecular FormulaC4H9BO2
Molecular Weight99.93 g/mol
Exact Mass100.07
IUPAC Name—
SMILES[B]C(C)(OC)OC
InChIInChI=1S/C4H9BO2/c1-4(5,6-2)7-3/h1-3H3
InChIKeyRKHGSQYRVBZKJY-UHFFFAOYSA-N
XLogP0.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.93
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 19377162?
The IUPAC name of CID 19377162 (CID 19377162) is not available.
What is the SMILES notation for CID 19377162?
The canonical SMILES for CID 19377162 is [B]C(C)(OC)OC.
What is the InChIKey of CID 19377162?
The InChIKey is RKHGSQYRVBZKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9BO2/c1-4(5,6-2)7-3/h1-3H3.
What are the key properties of CID 19377162?
CID 19377162 has a molecular weight of 99.93 g/mol, XLogP of 0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19377162 is sourced from PubChem (CID 19377162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).