1,3,3,6,9,9-hexamethyl-1-silatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene

C17H26Si — CID 177102161

IUPAC1,3,3,6,9,9-hexamethyl-1-silatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene
SMILESCc1cc2c3c(c1)C(C)(C)C[Si]3(C)CCC2(C)C
InChIInChI=1S/C17H26Si/c1-12-9-13-15-14(10-12)17(4,5)11-18(15,6)8-7-16(13,2)3/h9-10H,7-8,11H2,1-6H3
InChIKeyJYBUBBNEUBCVLO-UHFFFAOYSA-N
MW258.48 g/mol
LogP4.25
Rot. Bonds

About 1,3,3,6,9,9-hexamethyl-1-silatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene

1,3,3,6,9,9-hexamethyl-1-silatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene (PubChem CID 177102161) has the molecular formula C17H26Si and a molecular weight of 258.48 g/mol. Its IUPAC name is 1,3,3,6,9,9-hexamethyl-1-silatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene.

Molecular Properties

Compound Name1,3,3,6,9,9-hexamethyl-1-silatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene
PubChem CID177102161
Molecular FormulaC17H26Si
Molecular Weight258.48 g/mol
Exact Mass258.18
IUPAC Name1,3,3,6,9,9-hexamethyl-1-silatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene
SMILESCc1cc2c3c(c1)C(C)(C)C[Si]3(C)CCC2(C)C
InChIInChI=1S/C17H26Si/c1-12-9-13-15-14(10-12)17(4,5)11-18(15,6)8-7-16(13,2)3/h9-10H,7-8,11H2,1-6H3
InChIKeyJYBUBBNEUBCVLO-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 54.25
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 1,3,3,6,9,9-hexamethyl-1-silatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene?
The IUPAC name of 1,3,3,6,9,9-hexamethyl-1-silatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene (CID 177102161) is 1,3,3,6,9,9-hexamethyl-1-silatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene.
What is the SMILES notation for 1,3,3,6,9,9-hexamethyl-1-silatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene?
The canonical SMILES for 1,3,3,6,9,9-hexamethyl-1-silatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene is Cc1cc2c3c(c1)C(C)(C)C[Si]3(C)CCC2(C)C.
What is the InChIKey of 1,3,3,6,9,9-hexamethyl-1-silatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene?
The InChIKey is JYBUBBNEUBCVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26Si/c1-12-9-13-15-14(10-12)17(4,5)11-18(15,6)8-7-16(13,2)3/h9-10H,7-8,11H2,1-6H3.
What are the key properties of 1,3,3,6,9,9-hexamethyl-1-silatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene?
1,3,3,6,9,9-hexamethyl-1-silatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene has a molecular weight of 258.48 g/mol, XLogP of 4.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,6,9,9-hexamethyl-1-silatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene is sourced from PubChem (CID 177102161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).