CID 102196609

C17H26BO2 — CID 102196609

IUPAC—
SMILESCCCC[CH]c1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIInChI=1S/C17H26BO2/c1-6-7-8-9-14-10-12-15(13-11-14)18-19-16(2,3)17(4,5)20-18/h9-13H,6-8H2,1-5H3
InChIKeyDWOASKYABNOJJV-UHFFFAOYSA-N
MW273.20 g/mol
LogP3.73
Rot. Bonds5

About CID 102196609

CID 102196609 (PubChem CID 102196609) has the molecular formula C17H26BO2 and a molecular weight of 273.20 g/mol.

Molecular Properties

Compound NameCID 102196609
PubChem CID102196609
Molecular FormulaC17H26BO2
Molecular Weight273.20 g/mol
Exact Mass273.20
IUPAC Name—
SMILESCCCC[CH]c1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIInChI=1S/C17H26BO2/c1-6-7-8-9-14-10-12-15(13-11-14)18-19-16(2,3)17(4,5)20-18/h9-13H,6-8H2,1-5H3
InChIKeyDWOASKYABNOJJV-UHFFFAOYSA-N
XLogP3.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.20
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 102196609?
The IUPAC name of CID 102196609 (CID 102196609) is not available.
What is the SMILES notation for CID 102196609?
The canonical SMILES for CID 102196609 is CCCC[CH]c1ccc(B2OC(C)(C)C(C)(C)O2)cc1.
What is the InChIKey of CID 102196609?
The InChIKey is DWOASKYABNOJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BO2/c1-6-7-8-9-14-10-12-15(13-11-14)18-19-16(2,3)17(4,5)20-18/h9-13H,6-8H2,1-5H3.
What are the key properties of CID 102196609?
CID 102196609 has a molecular weight of 273.20 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102196609 is sourced from PubChem (CID 102196609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).