CID 14660487

C8H17BO — CID 14660487

IUPAC—
SMILESC1CCOC1.[B]C(C)CC
InChIInChI=1S/C4H9B.C4H8O/c1-3-4(2)5;1-2-4-5-3-1/h4H,3H2,1-2H3;1-4H2
InChIKeyXIBUPMDLAXVEIQ-UHFFFAOYSA-N
MW140.03 g/mol
LogP2.17
Rot. Bonds1

About CID 14660487

CID 14660487 (PubChem CID 14660487) has the molecular formula C8H17BO and a molecular weight of 140.03 g/mol.

Molecular Properties

Compound NameCID 14660487
PubChem CID14660487
Molecular FormulaC8H17BO
Molecular Weight140.03 g/mol
Exact Mass140.14
IUPAC Name—
SMILESC1CCOC1.[B]C(C)CC
InChIInChI=1S/C4H9B.C4H8O/c1-3-4(2)5;1-2-4-5-3-1/h4H,3H2,1-2H3;1-4H2
InChIKeyXIBUPMDLAXVEIQ-UHFFFAOYSA-N
XLogP2.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.03
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 14660487?
The IUPAC name of CID 14660487 (CID 14660487) is not available.
What is the SMILES notation for CID 14660487?
The canonical SMILES for CID 14660487 is C1CCOC1.[B]C(C)CC.
What is the InChIKey of CID 14660487?
The InChIKey is XIBUPMDLAXVEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9B.C4H8O/c1-3-4(2)5;1-2-4-5-3-1/h4H,3H2,1-2H3;1-4H2.
What are the key properties of CID 14660487?
CID 14660487 has a molecular weight of 140.03 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 14660487 is sourced from PubChem (CID 14660487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).