CID 174147780

C10H17BO — CID 174147780

IUPAC—
SMILES[B]C(C)(O)C1CC2CCC1CC2
InChIInChI=1S/C10H17BO/c1-10(11,12)9-6-7-2-4-8(9)5-3-7/h7-9,12H,2-6H2,1H3
InChIKeyJIFLCWUHINRSJX-UHFFFAOYSA-N
MW164.06 g/mol
LogP1.69
Rot. Bonds1

About CID 174147780

CID 174147780 (PubChem CID 174147780) has the molecular formula C10H17BO and a molecular weight of 164.06 g/mol.

Molecular Properties

Compound NameCID 174147780
PubChem CID174147780
Molecular FormulaC10H17BO
Molecular Weight164.06 g/mol
Exact Mass164.14
IUPAC Name—
SMILES[B]C(C)(O)C1CC2CCC1CC2
InChIInChI=1S/C10H17BO/c1-10(11,12)9-6-7-2-4-8(9)5-3-7/h7-9,12H,2-6H2,1H3
InChIKeyJIFLCWUHINRSJX-UHFFFAOYSA-N
XLogP1.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.06
LogP ≤ 51.69
H-Bond Donors ≤ 51
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 174147780?
The IUPAC name of CID 174147780 (CID 174147780) is not available.
What is the SMILES notation for CID 174147780?
The canonical SMILES for CID 174147780 is [B]C(C)(O)C1CC2CCC1CC2.
What is the InChIKey of CID 174147780?
The InChIKey is JIFLCWUHINRSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BO/c1-10(11,12)9-6-7-2-4-8(9)5-3-7/h7-9,12H,2-6H2,1H3.
What are the key properties of CID 174147780?
CID 174147780 has a molecular weight of 164.06 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174147780 is sourced from PubChem (CID 174147780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).