1,3,3,5,9,9-hexamethyl-1-silatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene

C17H26Si — CID 177102514

IUPAC1,3,3,5,9,9-hexamethyl-1-silatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene
SMILESCc1ccc2c3c1C(C)(C)C[Si]3(C)CCC2(C)C
InChIInChI=1S/C17H26Si/c1-12-7-8-13-15-14(12)17(4,5)11-18(15,6)10-9-16(13,2)3/h7-8H,9-11H2,1-6H3
InChIKeyOFOIBUAKHKXOOD-UHFFFAOYSA-N
MW258.48 g/mol
LogP4.25
Rot. Bonds

About 1,3,3,5,9,9-hexamethyl-1-silatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene

1,3,3,5,9,9-hexamethyl-1-silatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene (PubChem CID 177102514) has the molecular formula C17H26Si and a molecular weight of 258.48 g/mol. Its IUPAC name is 1,3,3,5,9,9-hexamethyl-1-silatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene.

Molecular Properties

Compound Name1,3,3,5,9,9-hexamethyl-1-silatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene
PubChem CID177102514
Molecular FormulaC17H26Si
Molecular Weight258.48 g/mol
Exact Mass258.18
IUPAC Name1,3,3,5,9,9-hexamethyl-1-silatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene
SMILESCc1ccc2c3c1C(C)(C)C[Si]3(C)CCC2(C)C
InChIInChI=1S/C17H26Si/c1-12-7-8-13-15-14(12)17(4,5)11-18(15,6)10-9-16(13,2)3/h7-8H,9-11H2,1-6H3
InChIKeyOFOIBUAKHKXOOD-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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Related Compounds

1,3,3,6,9,9-hexamethyl-1-silatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene
CID 177102161
benzene;1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 173031980
5,5,9,9-tetramethyl-7,8-dihydro-6H-benzo[7]annulene
CID 125494585
2,2,4,9,9,10,10-heptamethyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 177102350
1,1,1',1',4,4'-hexamethyl-3,3'-spirobi[2H-indene]
CID 157166013
4,4,7,7,17,17,20,20-octamethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),9,14,16(21)-hexaene
CID 145429599
N,5,5,8,8-pentamethyl-N-(2-methylphenyl)-6,7-dihydronaphthalen-1-amine
CID 163726619
1,1-difluoro-3,3,4-trimethyl-2H-indene
CID 170185955
1,1,3,3,4-pentamethyl-2H-phenalene
CID 177264595
CID 175377072
CID 175377072
5,5-dimethyl-2,2-diphenyloxasilolane
CID 10901623
4,7-dimethylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 130049258

Frequently Asked Questions

What is the IUPAC name of 1,3,3,5,9,9-hexamethyl-1-silatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene?
The IUPAC name of 1,3,3,5,9,9-hexamethyl-1-silatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene (CID 177102514) is 1,3,3,5,9,9-hexamethyl-1-silatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene.
What is the SMILES notation for 1,3,3,5,9,9-hexamethyl-1-silatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene?
The canonical SMILES for 1,3,3,5,9,9-hexamethyl-1-silatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene is Cc1ccc2c3c1C(C)(C)C[Si]3(C)CCC2(C)C.
What is the InChIKey of 1,3,3,5,9,9-hexamethyl-1-silatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene?
The InChIKey is OFOIBUAKHKXOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26Si/c1-12-7-8-13-15-14(12)17(4,5)11-18(15,6)10-9-16(13,2)3/h7-8H,9-11H2,1-6H3.
What are the key properties of 1,3,3,5,9,9-hexamethyl-1-silatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene?
1,3,3,5,9,9-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 1,3,3,5,9,9-hexamethyl-1-silatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene is sourced from PubChem (CID 177102514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).