[[2-(2,2-dimethylpropyl)-4-methyl-3-(3-methylbut-2-en-2-yl)-1,2-dihydrosilet-1-yl]-methylsilylidene]methanone

C16H28OSi2 — CID 123389517

IUPAC[[2-(2,2-dimethylpropyl)-4-methyl-3-(3-methylbut-2-en-2-yl)-1,2-dihydrosilet-1-yl]-methylsilylidene]methanone
SMILESCC(C)=C(C)C1=C(C)[SiH]([Si](C)=C=O)C1CC(C)(C)C
InChIInChI=1S/C16H28OSi2/c1-11(2)12(3)15-13(4)19(18(8)10-17)14(15)9-16(5,6)7/h14,19H,9H2,1-8H3
InChIKeyROYTVFCWWRKPAT-UHFFFAOYSA-N
MW292.57 g/mol
LogP4.10
Rot. Bonds3

About [[2-(2,2-dimethylpropyl)-4-methyl-3-(3-methylbut-2-en-2-yl)-1,2-dihydrosilet-1-yl]-methylsilylidene]methanone

[[2-(2,2-dimethylpropyl)-4-methyl-3-(3-methylbut-2-en-2-yl)-1,2-dihydrosilet-1-yl]-methylsilylidene]methanone (PubChem CID 123389517) has the molecular formula C16H28OSi2 and a molecular weight of 292.57 g/mol. Its IUPAC name is [[2-(2,2-dimethylpropyl)-4-methyl-3-(3-methylbut-2-en-2-yl)-1,2-dihydrosilet-1-yl]-methylsilylidene]methanone.

Molecular Properties

Compound Name[[2-(2,2-dimethylpropyl)-4-methyl-3-(3-methylbut-2-en-2-yl)-1,2-dihydrosilet-1-yl]-methylsilylidene]methanone
PubChem CID123389517
Molecular FormulaC16H28OSi2
Molecular Weight292.57 g/mol
Exact Mass292.17
IUPAC Name[[2-(2,2-dimethylpropyl)-4-methyl-3-(3-methylbut-2-en-2-yl)-1,2-dihydrosilet-1-yl]-methylsilylidene]methanone
SMILESCC(C)=C(C)C1=C(C)[SiH]([Si](C)=C=O)C1CC(C)(C)C
InChIInChI=1S/C16H28OSi2/c1-11(2)12(3)15-13(4)19(18(8)10-17)14(15)9-16(5,6)7/h14,19H,9H2,1-8H3
InChIKeyROYTVFCWWRKPAT-UHFFFAOYSA-N
XLogP4.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.57
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 [[2-(2,2-dimethylpropyl)-4-methyl-3-(3-methylbut-2-en-2-yl)-1,2-dihydrosilet-1-yl]-methylsilylidene]methanone?
The IUPAC name of [[2-(2,2-dimethylpropyl)-4-methyl-3-(3-methylbut-2-en-2-yl)-1,2-dihydrosilet-1-yl]-methylsilylidene]methanone (CID 123389517) is [[2-(2,2-dimethylpropyl)-4-methyl-3-(3-methylbut-2-en-2-yl)-1,2-dihydrosilet-1-yl]-methylsilylidene]methanone.
What is the SMILES notation for [[2-(2,2-dimethylpropyl)-4-methyl-3-(3-methylbut-2-en-2-yl)-1,2-dihydrosilet-1-yl]-methylsilylidene]methanone?
The canonical SMILES for [[2-(2,2-dimethylpropyl)-4-methyl-3-(3-methylbut-2-en-2-yl)-1,2-dihydrosilet-1-yl]-methylsilylidene]methanone is CC(C)=C(C)C1=C(C)[SiH]([Si](C)=C=O)C1CC(C)(C)C.
What is the InChIKey of [[2-(2,2-dimethylpropyl)-4-methyl-3-(3-methylbut-2-en-2-yl)-1,2-dihydrosilet-1-yl]-methylsilylidene]methanone?
The InChIKey is ROYTVFCWWRKPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28OSi2/c1-11(2)12(3)15-13(4)19(18(8)10-17)14(15)9-16(5,6)7/h14,19H,9H2,1-8H3.
What are the key properties of [[2-(2,2-dimethylpropyl)-4-methyl-3-(3-methylbut-2-en-2-yl)-1,2-dihydrosilet-1-yl]-methylsilylidene]methanone?
[[2-(2,2-dimethylpropyl)-4-methyl-3-(3-methylbut-2-en-2-yl)-1,2-dihydrosilet-1-yl]-methylsilylidene]methanone has a molecular weight of 292.57 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(2,2-dimethylpropyl)-4-methyl-3-(3-methylbut-2-en-2-yl)-1,2-dihydrosilet-1-yl]-methylsilylidene]methanone is sourced from PubChem (CID 123389517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).