CID 174066686

C8H14B2O — CID 174066686

IUPAC—
SMILES[B]C([B])(C)OC1CCCCC1
InChIInChI=1S/C8H14B2O/c1-8(9,10)11-7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKeyJIFRLPWNHZZJQV-UHFFFAOYSA-N
MW147.82 g/mol
LogP1.35
Rot. Bonds2

About CID 174066686

CID 174066686 (PubChem CID 174066686) has the molecular formula C8H14B2O and a molecular weight of 147.82 g/mol.

Molecular Properties

Compound NameCID 174066686
PubChem CID174066686
Molecular FormulaC8H14B2O
Molecular Weight147.82 g/mol
Exact Mass148.12
IUPAC Name—
SMILES[B]C([B])(C)OC1CCCCC1
InChIInChI=1S/C8H14B2O/c1-8(9,10)11-7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKeyJIFRLPWNHZZJQV-UHFFFAOYSA-N
XLogP1.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.82
LogP ≤ 51.35
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 174066686?
The IUPAC name of CID 174066686 (CID 174066686) is not available.
What is the SMILES notation for CID 174066686?
The canonical SMILES for CID 174066686 is [B]C([B])(C)OC1CCCCC1.
What is the InChIKey of CID 174066686?
The InChIKey is JIFRLPWNHZZJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14B2O/c1-8(9,10)11-7-5-3-2-4-6-7/h7H,2-6H2,1H3.
What are the key properties of CID 174066686?
CID 174066686 has a molecular weight of 147.82 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174066686 is sourced from PubChem (CID 174066686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).