CID 159348131

C7H14BO2 — CID 159348131

IUPAC—
SMILESC[B][C@@H]1O[C@H](CO)CC1C
InChIInChI=1S/C7H14BO2/c1-5-3-6(4-9)10-7(5)8-2/h5-7,9H,3-4H2,1-2H3/t5?,6-,7+/m0/s1
InChIKeyXEHPEOBZHAVPLE-BOJSHJERSA-N
MW141.00 g/mol
LogP0.48
Rot. Bonds2

About CID 159348131

CID 159348131 (PubChem CID 159348131) has the molecular formula C7H14BO2 and a molecular weight of 141.00 g/mol.

Molecular Properties

Compound NameCID 159348131
PubChem CID159348131
Molecular FormulaC7H14BO2
Molecular Weight141.00 g/mol
Exact Mass141.11
IUPAC Name—
SMILESC[B][C@@H]1O[C@H](CO)CC1C
InChIInChI=1S/C7H14BO2/c1-5-3-6(4-9)10-7(5)8-2/h5-7,9H,3-4H2,1-2H3/t5?,6-,7+/m0/s1
InChIKeyXEHPEOBZHAVPLE-BOJSHJERSA-N
XLogP0.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.00
LogP ≤ 50.48
H-Bond Donors ≤ 51
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 159348131?
The IUPAC name of CID 159348131 (CID 159348131) is not available.
What is the SMILES notation for CID 159348131?
The canonical SMILES for CID 159348131 is C[B][C@@H]1O[C@H](CO)CC1C.
What is the InChIKey of CID 159348131?
The InChIKey is XEHPEOBZHAVPLE-BOJSHJERSA-N. The full InChI is InChI=1S/C7H14BO2/c1-5-3-6(4-9)10-7(5)8-2/h5-7,9H,3-4H2,1-2H3/t5?,6-,7+/m0/s1.
What are the key properties of CID 159348131?
CID 159348131 has a molecular weight of 141.00 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159348131 is sourced from PubChem (CID 159348131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).