CID 174494301

C14H22BO — CID 174494301

IUPAC—
SMILESCCCCC(CC)CO[B]c1ccccc1
InChIInChI=1S/C14H22BO/c1-3-5-9-13(4-2)12-16-15-14-10-7-6-8-11-14/h6-8,10-11,13H,3-5,9,12H2,1-2H3
InChIKeyHDRRGOFKFSSRHS-UHFFFAOYSA-N
MW217.14 g/mol
LogP3.16
Rot. Bonds8

About CID 174494301

CID 174494301 (PubChem CID 174494301) has the molecular formula C14H22BO and a molecular weight of 217.14 g/mol.

Molecular Properties

Compound NameCID 174494301
PubChem CID174494301
Molecular FormulaC14H22BO
Molecular Weight217.14 g/mol
Exact Mass217.18
IUPAC Name—
SMILESCCCCC(CC)CO[B]c1ccccc1
InChIInChI=1S/C14H22BO/c1-3-5-9-13(4-2)12-16-15-14-10-7-6-8-11-14/h6-8,10-11,13H,3-5,9,12H2,1-2H3
InChIKeyHDRRGOFKFSSRHS-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.14
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 174494301?
The IUPAC name of CID 174494301 (CID 174494301) is not available.
What is the SMILES notation for CID 174494301?
The canonical SMILES for CID 174494301 is CCCCC(CC)CO[B]c1ccccc1.
What is the InChIKey of CID 174494301?
The InChIKey is HDRRGOFKFSSRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BO/c1-3-5-9-13(4-2)12-16-15-14-10-7-6-8-11-14/h6-8,10-11,13H,3-5,9,12H2,1-2H3.
What are the key properties of CID 174494301?
CID 174494301 has a molecular weight of 217.14 g/mol, XLogP of 3.16, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174494301 is sourced from PubChem (CID 174494301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).