CID 162266797

C28H64B4 — CID 162266797

IUPAC—
SMILESC.C.C.C.C=C(C)C1C(C(=C)C)C(C(=C)C)C1C(=C)C.CC.CC.CC.CC.[B].[B].[B].[B]
InChIInChI=1S/C16H24.4C2H6.4CH4.4B/c1-9(2)13-14(10(3)4)16(12(7)8)15(13)11(5)6;4*1-2;;;;;;;;/h13-16H,1,3,5,7H2,2,4,6,8H3;4*1-2H3;4*1H4;;;;
InChIKeyUZYIOJHFGAWASK-UHFFFAOYSA-N
MW444.07 g/mol
LogP9.90
Rot. Bonds4

About CID 162266797

CID 162266797 (PubChem CID 162266797) has the molecular formula C28H64B4 and a molecular weight of 444.07 g/mol.

Molecular Properties

Compound NameCID 162266797
PubChem CID162266797
Molecular FormulaC28H64B4
Molecular Weight444.07 g/mol
Exact Mass444.54
IUPAC Name—
SMILESC.C.C.C.C=C(C)C1C(C(=C)C)C(C(=C)C)C1C(=C)C.CC.CC.CC.CC.[B].[B].[B].[B]
InChIInChI=1S/C16H24.4C2H6.4CH4.4B/c1-9(2)13-14(10(3)4)16(12(7)8)15(13)11(5)6;4*1-2;;;;;;;;/h13-16H,1,3,5,7H2,2,4,6,8H3;4*1-2H3;4*1H4;;;;
InChIKeyUZYIOJHFGAWASK-UHFFFAOYSA-N
XLogP9.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.07
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 162266797?
The IUPAC name of CID 162266797 (CID 162266797) is not available.
What is the SMILES notation for CID 162266797?
The canonical SMILES for CID 162266797 is C.C.C.C.C=C(C)C1C(C(=C)C)C(C(=C)C)C1C(=C)C.CC.CC.CC.CC.[B].[B].[B].[B].
What is the InChIKey of CID 162266797?
The InChIKey is UZYIOJHFGAWASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24.4C2H6.4CH4.4B/c1-9(2)13-14(10(3)4)16(12(7)8)15(13)11(5)6;4*1-2;;;;;;;;/h13-16H,1,3,5,7H2,2,4,6,8H3;4*1-2H3;4*1H4;;;;.
What are the key properties of CID 162266797?
CID 162266797 has a molecular weight of 444.07 g/mol, XLogP of 9.90, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162266797 is sourced from PubChem (CID 162266797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).