(10b,10c-dimethylpyren-2-yl)-trimethylsilane

C21H24Si — CID 101228524

IUPAC(10b,10c-dimethylpyren-2-yl)-trimethylsilane
SMILESCC12C3=CC=CC1=CC=C1C=C([Si](C)(C)C)C=C(C=C3)C12C
InChIInChI=1S/C21H24Si/c1-20-15-7-6-8-16(20)10-12-18-14-19(22(3,4)5)13-17(11-9-15)21(18,20)2/h6-14H,1-5H3
InChIKeyVROAZKHKILUDDQ-UHFFFAOYSA-N
MW304.51 g/mol
LogP5.68
Rot. Bonds1

About (10b,10c-dimethylpyren-2-yl)-trimethylsilane

(10b,10c-dimethylpyren-2-yl)-trimethylsilane (PubChem CID 101228524) has the molecular formula C21H24Si and a molecular weight of 304.51 g/mol. Its IUPAC name is (10b,10c-dimethylpyren-2-yl)-trimethylsilane.

Molecular Properties

Compound Name(10b,10c-dimethylpyren-2-yl)-trimethylsilane
PubChem CID101228524
Molecular FormulaC21H24Si
Molecular Weight304.51 g/mol
Exact Mass304.16
IUPAC Name(10b,10c-dimethylpyren-2-yl)-trimethylsilane
SMILESCC12C3=CC=CC1=CC=C1C=C([Si](C)(C)C)C=C(C=C3)C12C
InChIInChI=1S/C21H24Si/c1-20-15-7-6-8-16(20)10-12-18-14-19(22(3,4)5)13-17(11-9-15)21(18,20)2/h6-14H,1-5H3
InChIKeyVROAZKHKILUDDQ-UHFFFAOYSA-N
XLogP5.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.51
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (10b,10c-dimethylpyren-2-yl)-trimethylsilane?
The IUPAC name of (10b,10c-dimethylpyren-2-yl)-trimethylsilane (CID 101228524) is (10b,10c-dimethylpyren-2-yl)-trimethylsilane.
What is the SMILES notation for (10b,10c-dimethylpyren-2-yl)-trimethylsilane?
The canonical SMILES for (10b,10c-dimethylpyren-2-yl)-trimethylsilane is CC12C3=CC=CC1=CC=C1C=C([Si](C)(C)C)C=C(C=C3)C12C.
What is the InChIKey of (10b,10c-dimethylpyren-2-yl)-trimethylsilane?
The InChIKey is VROAZKHKILUDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Si/c1-20-15-7-6-8-16(20)10-12-18-14-19(22(3,4)5)13-17(11-9-15)21(18,20)2/h6-14H,1-5H3.
What are the key properties of (10b,10c-dimethylpyren-2-yl)-trimethylsilane?
(10b,10c-dimethylpyren-2-yl)-trimethylsilane has a molecular weight of 304.51 g/mol, XLogP of 5.68, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (10b,10c-dimethylpyren-2-yl)-trimethylsilane is sourced from PubChem (CID 101228524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).