tert-butyl-(4,4-dimethyl-7-trimethylsilylhepta-1,6-diyn-3-yl)oxy-dimethylsilane

C18H34OSi2 — CID 10829718

IUPACtert-butyl-(4,4-dimethyl-7-trimethylsilylhepta-1,6-diyn-3-yl)oxy-dimethylsilane
SMILESC#CC(O[Si](C)(C)C(C)(C)C)C(C)(C)CC#C[Si](C)(C)C
InChIInChI=1S/C18H34OSi2/c1-12-16(19-21(10,11)17(2,3)4)18(5,6)14-13-15-20(7,8)9/h1,16H,14H2,2-11H3
InChIKeyYNDCKCCDIOGIRF-UHFFFAOYSA-N
MW322.64 g/mol
LogP5.31
Rot. Bonds4

About tert-butyl-(4,4-dimethyl-7-trimethylsilylhepta-1,6-diyn-3-yl)oxy-dimethylsilane

tert-butyl-(4,4-dimethyl-7-trimethylsilylhepta-1,6-diyn-3-yl)oxy-dimethylsilane (PubChem CID 10829718) has the molecular formula C18H34OSi2 and a molecular weight of 322.64 g/mol. Its IUPAC name is tert-butyl-(4,4-dimethyl-7-trimethylsilylhepta-1,6-diyn-3-yl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(4,4-dimethyl-7-trimethylsilylhepta-1,6-diyn-3-yl)oxy-dimethylsilane
PubChem CID10829718
Molecular FormulaC18H34OSi2
Molecular Weight322.64 g/mol
Exact Mass322.21
IUPAC Nametert-butyl-(4,4-dimethyl-7-trimethylsilylhepta-1,6-diyn-3-yl)oxy-dimethylsilane
SMILESC#CC(O[Si](C)(C)C(C)(C)C)C(C)(C)CC#C[Si](C)(C)C
InChIInChI=1S/C18H34OSi2/c1-12-16(19-21(10,11)17(2,3)4)18(5,6)14-13-15-20(7,8)9/h1,16H,14H2,2-11H3
InChIKeyYNDCKCCDIOGIRF-UHFFFAOYSA-N
XLogP5.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.64
LogP ≤ 55.31
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'}

Analyze tert-butyl-(4,4-dimethyl-7-trimethylsilylhepta-1,6-diyn-3-yl)oxy-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tert-butyl-(4,4-dimethyl-1-trimethylsilylhepta-1,6-diyn-3-yl)oxy-dimethylsilane
CID 10567903
Tert-butyl-(4,4-dimethyl-1-trimethylsilylocta-1,6-diyn-3-yl)oxy-dimethylsilane
CID 10664651
Tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynylpent-4-ynoxy]-dimethylsilane
CID 11079446
Tert-butyl-(4,4-dimethyl-1-trimethylsilylnona-1,7-diyn-5-yl)oxy-dimethylsilane
CID 135078902
tert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethynylpent-4-ynoxy]-dimethylsilane
CID 154707127
Tert-butyl-(4,4-dimethyloct-1-yn-3-yloxy)-dimethylsilane
CID 19042215
5,5-dimethyl-1-octyn-4(RS)-ol triethylsilyl ether
CID 21528005
tert-butyl-dimethyl-[(3S)-4-methylnona-1,6-diyn-3-yl]oxysilane
CID 22873866
tert-butyl-dimethyl-[(3S,4S)-4-methylnona-1,6-diyn-3-yl]oxysilane
CID 88384013
tert-butyl-[(3S)-4,4-dimethyloct-1-yn-3-yl]oxy-dimethylsilane
CID 88384050
Tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-but-2-ynylhex-4-ynoxy]-dimethylsilane
CID 101218243
Tert-butyl-(5,5-dimethyl-8-trimethylsilylocta-1,7-diyn-4-yl)oxy-dimethylsilane
CID 10520889

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(4,4-dimethyl-7-trimethylsilylhepta-1,6-diyn-3-yl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(4,4-dimethyl-7-trimethylsilylhepta-1,6-diyn-3-yl)oxy-dimethylsilane (CID 10829718) is tert-butyl-(4,4-dimethyl-7-trimethylsilylhepta-1,6-diyn-3-yl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(4,4-dimethyl-7-trimethylsilylhepta-1,6-diyn-3-yl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(4,4-dimethyl-7-trimethylsilylhepta-1,6-diyn-3-yl)oxy-dimethylsilane is C#CC(O[Si](C)(C)C(C)(C)C)C(C)(C)CC#C[Si](C)(C)C.
What is the InChIKey of tert-butyl-(4,4-dimethyl-7-trimethylsilylhepta-1,6-diyn-3-yl)oxy-dimethylsilane?
The InChIKey is YNDCKCCDIOGIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34OSi2/c1-12-16(19-21(10,11)17(2,3)4)18(5,6)14-13-15-20(7,8)9/h1,16H,14H2,2-11H3.
What are the key properties of tert-butyl-(4,4-dimethyl-7-trimethylsilylhepta-1,6-diyn-3-yl)oxy-dimethylsilane?
tert-butyl-(4,4-dimethyl-7-trimethylsilylhepta-1,6-diyn-3-yl)oxy-dimethylsilane has a molecular weight of 322.64 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(4,4-dimethyl-7-trimethylsilylhepta-1,6-diyn-3-yl)oxy-dimethylsilane is sourced from PubChem (CID 10829718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).