1,2-bis[tert-butyl(dimethyl)silyl]-4,4-dimethyloct-7-yn-1-one

C22H44OSi2 — CID 91425086

IUPAC1,2-bis[tert-butyl(dimethyl)silyl]-4,4-dimethyloct-7-yn-1-one
SMILESC#CCCC(C)(C)CC(C(=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44OSi2/c1-14-15-16-22(8,9)17-18(24(10,11)20(2,3)4)19(23)25(12,13)21(5,6)7/h1,18H,15-17H2,2-13H3
InChIKeyIDEAWQSHKJCTEG-UHFFFAOYSA-N
MW380.77 g/mol
LogP7.31
Rot. Bonds7

About 1,2-bis[tert-butyl(dimethyl)silyl]-4,4-dimethyloct-7-yn-1-one

1,2-bis[tert-butyl(dimethyl)silyl]-4,4-dimethyloct-7-yn-1-one (PubChem CID 91425086) has the molecular formula C22H44OSi2 and a molecular weight of 380.77 g/mol. Its IUPAC name is 1,2-bis[tert-butyl(dimethyl)silyl]-4,4-dimethyloct-7-yn-1-one.

Molecular Properties

Compound Name1,2-bis[tert-butyl(dimethyl)silyl]-4,4-dimethyloct-7-yn-1-one
PubChem CID91425086
Molecular FormulaC22H44OSi2
Molecular Weight380.77 g/mol
Exact Mass380.29
IUPAC Name1,2-bis[tert-butyl(dimethyl)silyl]-4,4-dimethyloct-7-yn-1-one
SMILESC#CCCC(C)(C)CC(C(=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44OSi2/c1-14-15-16-22(8,9)17-18(24(10,11)20(2,3)4)19(23)25(12,13)21(5,6)7/h1,18H,15-17H2,2-13H3
InChIKeyIDEAWQSHKJCTEG-UHFFFAOYSA-N
XLogP7.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.77
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5,5-Bis(2-triethylsilylethynyl)undecan-6-one
CID 86233962
3,3-Bis[4-(trimethylsilyl)-3-butynyl]cyclopentanone
CID 12583074
10,10-Bis(2-triethylsilylethynyl)henicosan-11-one
CID 86233965
2,2-Bis(2-triethylsilylethynyl)cyclohexan-1-one
CID 86233970
2,2-Bis(2-triethylsilylethynyl)cyclododecan-1-one
CID 86233972
2,2-Bis(2-triethylsilylethynyl)cyclopentadecan-1-one
CID 101392753
4,4-Dimethyl-1-triethylsilyldec-1-yn-3-one
CID 177543802

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[tert-butyl(dimethyl)silyl]-4,4-dimethyloct-7-yn-1-one?
The IUPAC name of 1,2-bis[tert-butyl(dimethyl)silyl]-4,4-dimethyloct-7-yn-1-one (CID 91425086) is 1,2-bis[tert-butyl(dimethyl)silyl]-4,4-dimethyloct-7-yn-1-one.
What is the SMILES notation for 1,2-bis[tert-butyl(dimethyl)silyl]-4,4-dimethyloct-7-yn-1-one?
The canonical SMILES for 1,2-bis[tert-butyl(dimethyl)silyl]-4,4-dimethyloct-7-yn-1-one is C#CCCC(C)(C)CC(C(=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1,2-bis[tert-butyl(dimethyl)silyl]-4,4-dimethyloct-7-yn-1-one?
The InChIKey is IDEAWQSHKJCTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44OSi2/c1-14-15-16-22(8,9)17-18(24(10,11)20(2,3)4)19(23)25(12,13)21(5,6)7/h1,18H,15-17H2,2-13H3.
What are the key properties of 1,2-bis[tert-butyl(dimethyl)silyl]-4,4-dimethyloct-7-yn-1-one?
1,2-bis[tert-butyl(dimethyl)silyl]-4,4-dimethyloct-7-yn-1-one has a molecular weight of 380.77 g/mol, XLogP of 7.31, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[tert-butyl(dimethyl)silyl]-4,4-dimethyloct-7-yn-1-one is sourced from PubChem (CID 91425086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).