(6,6-dimethyl-8-trimethylsilyl-2,3-dihydro-1H-azulen-4-yl)-trimethylsilane

C18H32Si2 — CID 553464

IUPAC(6,6-dimethyl-8-trimethylsilyl-2,3-dihydro-1H-azulen-4-yl)-trimethylsilane
SMILESCC1(C)C=C([Si](C)(C)C)C2=C(CCC2)C([Si](C)(C)C)=C1
InChIInChI=1S/C18H32Si2/c1-18(2)12-16(19(3,4)5)14-10-9-11-15(14)17(13-18)20(6,7)8/h12-13H,9-11H2,1-8H3
InChIKeyDIKFHMFGNPUBPU-UHFFFAOYSA-N
MW304.63 g/mol
LogP6.11
Rot. Bonds2

About (6,6-dimethyl-8-trimethylsilyl-2,3-dihydro-1H-azulen-4-yl)-trimethylsilane

(6,6-dimethyl-8-trimethylsilyl-2,3-dihydro-1H-azulen-4-yl)-trimethylsilane (PubChem CID 553464) has the molecular formula C18H32Si2 and a molecular weight of 304.63 g/mol. Its IUPAC name is (6,6-dimethyl-8-trimethylsilyl-2,3-dihydro-1H-azulen-4-yl)-trimethylsilane.

Molecular Properties

Compound Name(6,6-dimethyl-8-trimethylsilyl-2,3-dihydro-1H-azulen-4-yl)-trimethylsilane
PubChem CID553464
Molecular FormulaC18H32Si2
Molecular Weight304.63 g/mol
Exact Mass304.20
IUPAC Name(6,6-dimethyl-8-trimethylsilyl-2,3-dihydro-1H-azulen-4-yl)-trimethylsilane
SMILESCC1(C)C=C([Si](C)(C)C)C2=C(CCC2)C([Si](C)(C)C)=C1
InChIInChI=1S/C18H32Si2/c1-18(2)12-16(19(3,4)5)14-10-9-11-15(14)17(13-18)20(6,7)8/h12-13H,9-11H2,1-8H3
InChIKeyDIKFHMFGNPUBPU-UHFFFAOYSA-N
XLogP6.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.63
LogP ≤ 56.11
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

1,1-Dimethyl-2,4-dioctylsilole
CID 101836332
2,4-Dihexyl-1,1-dimethylsilole
CID 102088905
4,4,7,7,9,9,11,11,13,13,15,15,17,17,20,20-Hexadecamethyl-4,7,9,11,13,15,17,20-octasilapentacyclo[10.10.0.02,8.03,21.016,22]docosa-1(12),2(8),3(21),16(22)-tetraene
CID 134982829
1,3,5-Cycloheptatriene, 3,4,7,7-tetramethyl-2,5-bis(trimethylsilyl)-
CID 553398
Bicyclo[5.4.0]undeca-1(7),2,5-triene, 5,5-dimethyl-2,9-bis(trimethylsilyl)-
CID 553540
Bis(3-butyl-2-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane
CID 19606763
2,4,5,6,7,8-Hexahydroazulen-2-yl-dimethyl-(3-trimethylsilylcyclopenta-2,4-dien-1-yl)silane
CID 53863627
2,4,5,6,7,8-Hexahydroazulen-2-yl-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 54044646
4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl-(2,4,5,6,7,8-hexahydroazulen-2-yl)-dimethylsilane
CID 54375570
1,1,2,3-Tetrabutyl-4,5-dimethylsilole
CID 67184273
Dimethyl-bis(2,3,5-triethylcyclopenta-2,4-dien-1-yl)silane
CID 140237615
Bis((4-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane);dimethylsilylidenetitanium(2+)
CID 172744243

Frequently Asked Questions

What is the IUPAC name of (6,6-dimethyl-8-trimethylsilyl-2,3-dihydro-1H-azulen-4-yl)-trimethylsilane?
The IUPAC name of (6,6-dimethyl-8-trimethylsilyl-2,3-dihydro-1H-azulen-4-yl)-trimethylsilane (CID 553464) is (6,6-dimethyl-8-trimethylsilyl-2,3-dihydro-1H-azulen-4-yl)-trimethylsilane.
What is the SMILES notation for (6,6-dimethyl-8-trimethylsilyl-2,3-dihydro-1H-azulen-4-yl)-trimethylsilane?
The canonical SMILES for (6,6-dimethyl-8-trimethylsilyl-2,3-dihydro-1H-azulen-4-yl)-trimethylsilane is CC1(C)C=C([Si](C)(C)C)C2=C(CCC2)C([Si](C)(C)C)=C1.
What is the InChIKey of (6,6-dimethyl-8-trimethylsilyl-2,3-dihydro-1H-azulen-4-yl)-trimethylsilane?
The InChIKey is DIKFHMFGNPUBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32Si2/c1-18(2)12-16(19(3,4)5)14-10-9-11-15(14)17(13-18)20(6,7)8/h12-13H,9-11H2,1-8H3.
What are the key properties of (6,6-dimethyl-8-trimethylsilyl-2,3-dihydro-1H-azulen-4-yl)-trimethylsilane?
(6,6-dimethyl-8-trimethylsilyl-2,3-dihydro-1H-azulen-4-yl)-trimethylsilane has a molecular weight of 304.63 g/mol, XLogP of 6.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6,6-dimethyl-8-trimethylsilyl-2,3-dihydro-1H-azulen-4-yl)-trimethylsilane is sourced from PubChem (CID 553464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).