CID 174326249

C8H15BO2 — CID 174326249

IUPAC—
SMILES[B]C1CC(OC)C(CCC)O1
InChIInChI=1S/C8H15BO2/c1-3-4-6-7(10-2)5-8(9)11-6/h6-8H,3-5H2,1-2H3
InChIKeyYFALBGWFMRVSEN-UHFFFAOYSA-N
MW154.02 g/mol
LogP1.09
Rot. Bonds3

About CID 174326249

CID 174326249 (PubChem CID 174326249) has the molecular formula C8H15BO2 and a molecular weight of 154.02 g/mol.

Molecular Properties

Compound NameCID 174326249
PubChem CID174326249
Molecular FormulaC8H15BO2
Molecular Weight154.02 g/mol
Exact Mass154.12
IUPAC Name—
SMILES[B]C1CC(OC)C(CCC)O1
InChIInChI=1S/C8H15BO2/c1-3-4-6-7(10-2)5-8(9)11-6/h6-8H,3-5H2,1-2H3
InChIKeyYFALBGWFMRVSEN-UHFFFAOYSA-N
XLogP1.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.02
LogP ≤ 51.09
H-Bond Donors ≤ 50
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 174326249?
The IUPAC name of CID 174326249 (CID 174326249) is not available.
What is the SMILES notation for CID 174326249?
The canonical SMILES for CID 174326249 is [B]C1CC(OC)C(CCC)O1.
What is the InChIKey of CID 174326249?
The InChIKey is YFALBGWFMRVSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BO2/c1-3-4-6-7(10-2)5-8(9)11-6/h6-8H,3-5H2,1-2H3.
What are the key properties of CID 174326249?
CID 174326249 has a molecular weight of 154.02 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174326249 is sourced from PubChem (CID 174326249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).