CID 142296837

C16H26BO2 — CID 142296837

IUPAC—
SMILESCC(C)(C)c1cccc([B]OC(C)(C)C(C)(C)O)c1
InChIInChI=1S/C16H26BO2/c1-14(2,3)12-9-8-10-13(11-12)17-19-16(6,7)15(4,5)18/h8-11,18H,1-7H3
InChIKeyXOSILTKWEIVKQJ-UHFFFAOYSA-N
MW261.19 g/mol
LogP2.79
Rot. Bonds4

About CID 142296837

CID 142296837 (PubChem CID 142296837) has the molecular formula C16H26BO2 and a molecular weight of 261.19 g/mol.

Molecular Properties

Compound NameCID 142296837
PubChem CID142296837
Molecular FormulaC16H26BO2
Molecular Weight261.19 g/mol
Exact Mass261.20
IUPAC Name—
SMILESCC(C)(C)c1cccc([B]OC(C)(C)C(C)(C)O)c1
InChIInChI=1S/C16H26BO2/c1-14(2,3)12-9-8-10-13(11-12)17-19-16(6,7)15(4,5)18/h8-11,18H,1-7H3
InChIKeyXOSILTKWEIVKQJ-UHFFFAOYSA-N
XLogP2.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.19
LogP ≤ 52.79
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 142296837?
The IUPAC name of CID 142296837 (CID 142296837) is not available.
What is the SMILES notation for CID 142296837?
The canonical SMILES for CID 142296837 is CC(C)(C)c1cccc([B]OC(C)(C)C(C)(C)O)c1.
What is the InChIKey of CID 142296837?
The InChIKey is XOSILTKWEIVKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BO2/c1-14(2,3)12-9-8-10-13(11-12)17-19-16(6,7)15(4,5)18/h8-11,18H,1-7H3.
What are the key properties of CID 142296837?
CID 142296837 has a molecular weight of 261.19 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142296837 is sourced from PubChem (CID 142296837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).