trimethyl-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane

C17H26Si — CID 21188919

IUPACtrimethyl-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane
SMILESCC1=CC2=C(C=CC=CC2C(C)C)C1[Si](C)(C)C
InChIInChI=1S/C17H26Si/c1-12(2)14-9-7-8-10-15-16(14)11-13(3)17(15)18(4,5)6/h7-12,14,17H,1-6H3
InChIKeyXQKGAXYXUKJNHV-UHFFFAOYSA-N
MW258.48 g/mol
LogP5.35
Rot. Bonds2

About trimethyl-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane

trimethyl-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane (PubChem CID 21188919) has the molecular formula C17H26Si and a molecular weight of 258.48 g/mol. Its IUPAC name is trimethyl-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane.

Molecular Properties

Compound Nametrimethyl-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane
PubChem CID21188919
Molecular FormulaC17H26Si
Molecular Weight258.48 g/mol
Exact Mass258.18
IUPAC Nametrimethyl-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane
SMILESCC1=CC2=C(C=CC=CC2C(C)C)C1[Si](C)(C)C
InChIInChI=1S/C17H26Si/c1-12(2)14-9-7-8-10-15-16(14)11-13(3)17(15)18(4,5)6/h7-12,14,17H,1-6H3
InChIKeyXQKGAXYXUKJNHV-UHFFFAOYSA-N
XLogP5.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.48
LogP ≤ 55.35
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 trimethyl-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane?
The IUPAC name of trimethyl-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane (CID 21188919) is trimethyl-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane.
What is the SMILES notation for trimethyl-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane?
The canonical SMILES for trimethyl-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane is CC1=CC2=C(C=CC=CC2C(C)C)C1[Si](C)(C)C.
What is the InChIKey of trimethyl-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane?
The InChIKey is XQKGAXYXUKJNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26Si/c1-12(2)14-9-7-8-10-15-16(14)11-13(3)17(15)18(4,5)6/h7-12,14,17H,1-6H3.
What are the key properties of trimethyl-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane?
trimethyl-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane has a molecular weight of 258.48 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane is sourced from PubChem (CID 21188919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).