CID 20727447

C16H18B16 — CID 20727447

IUPAC—
SMILES[B]C([B])C(C([B])[B])C(C(C)C(C(C([B])[B])C([B])[B])C(C([B])[B])C([B])[B])C(C([B])[B])C([B])[B]
InChIInChI=1S/C16H18B16/c1-2(3(5(9(17)18)10(19)20)6(11(21)22)12(23)24)4(7(13(25)26)14(27)28)8(15(29)30)16(31)32/h2-16H,1H3
InChIKeyFAUMKQZCLVJZLP-UHFFFAOYSA-N
MW383.31 g/mol
LogP-2.02
Rot. Bonds14

About CID 20727447

CID 20727447 (PubChem CID 20727447) has the molecular formula C16H18B16 and a molecular weight of 383.31 g/mol.

Molecular Properties

Compound NameCID 20727447
PubChem CID20727447
Molecular FormulaC16H18B16
Molecular Weight383.31 g/mol
Exact Mass386.29
IUPAC Name—
SMILES[B]C([B])C(C([B])[B])C(C(C)C(C(C([B])[B])C([B])[B])C(C([B])[B])C([B])[B])C(C([B])[B])C([B])[B]
InChIInChI=1S/C16H18B16/c1-2(3(5(9(17)18)10(19)20)6(11(21)22)12(23)24)4(7(13(25)26)14(27)28)8(15(29)30)16(31)32/h2-16H,1H3
InChIKeyFAUMKQZCLVJZLP-UHFFFAOYSA-N
XLogP-2.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.31
LogP ≤ 5-2.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 20727447?
The IUPAC name of CID 20727447 (CID 20727447) is not available.
What is the SMILES notation for CID 20727447?
The canonical SMILES for CID 20727447 is [B]C([B])C(C([B])[B])C(C(C)C(C(C([B])[B])C([B])[B])C(C([B])[B])C([B])[B])C(C([B])[B])C([B])[B].
What is the InChIKey of CID 20727447?
The InChIKey is FAUMKQZCLVJZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18B16/c1-2(3(5(9(17)18)10(19)20)6(11(21)22)12(23)24)4(7(13(25)26)14(27)28)8(15(29)30)16(31)32/h2-16H,1H3.
What are the key properties of CID 20727447?
CID 20727447 has a molecular weight of 383.31 g/mol, XLogP of -2.02, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20727447 is sourced from PubChem (CID 20727447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).