2,7-dimethyloct-7-en-5-yn-4-yloxy-diethyl-heptoxysilane

C21H40O2Si — CID 91742534

IUPAC2,7-dimethyloct-7-en-5-yn-4-yloxy-diethyl-heptoxysilane
SMILESC=C(C)C#CC(CC(C)C)O[Si](CC)(CC)OCCCCCCC
InChIInChI=1S/C21H40O2Si/c1-8-11-12-13-14-17-22-24(9-2,10-3)23-21(18-20(6)7)16-15-19(4)5/h20-21H,4,8-14,17-18H2,1-3,5-7H3
InChIKeyBKKXZJAVIVEZRV-UHFFFAOYSA-N
MW352.64 g/mol
LogP6.47
Rot. Bonds13

About 2,7-dimethyloct-7-en-5-yn-4-yloxy-diethyl-heptoxysilane

2,7-dimethyloct-7-en-5-yn-4-yloxy-diethyl-heptoxysilane (PubChem CID 91742534) has the molecular formula C21H40O2Si and a molecular weight of 352.64 g/mol. Its IUPAC name is 2,7-dimethyloct-7-en-5-yn-4-yloxy-diethyl-heptoxysilane.

Molecular Properties

Compound Name2,7-dimethyloct-7-en-5-yn-4-yloxy-diethyl-heptoxysilane
PubChem CID91742534
Molecular FormulaC21H40O2Si
Molecular Weight352.64 g/mol
Exact Mass352.28
IUPAC Name2,7-dimethyloct-7-en-5-yn-4-yloxy-diethyl-heptoxysilane
SMILESC=C(C)C#CC(CC(C)C)O[Si](CC)(CC)OCCCCCCC
InChIInChI=1S/C21H40O2Si/c1-8-11-12-13-14-17-22-24(9-2,10-3)23-21(18-20(6)7)16-15-19(4)5/h20-21H,4,8-14,17-18H2,1-3,5-7H3
InChIKeyBKKXZJAVIVEZRV-UHFFFAOYSA-N
XLogP6.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.64
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Butyldimethylsilyloxy-2,6-dimethylnon-1-en-3-yne
CID 531330
tert-butyl-dimethyl-[(2R,5S)-2-methyl-3-methylidene-5-triethylsilyloxy-8-tri(propan-2-yl)silyloct-7-ynoxy]silane
CID 135013689
2,7-Dimethyl-4-triisobutylsilyloxyoct-7-en-5-yne
CID 531264
2,6-Dimethyl-5-triisobutylsilyloxynon-1-en-3-yne
CID 531265
2,6-Dimethyl-6-dimethylisopropylsilyloxynon-1-en-3-yne
CID 531291
2,7-Dimethyl-4-dimethyloctylsilyloxyoct-7-en-5-yne
CID 531298
2,6-Dimethyl-5-dimethyloctylsilyloxynon-1-en-3-yne
CID 531299
2,7-Dimethyl-4-tripropylsilyloxyoct-7-en-5-yne
CID 531308
2,6-Dimethyl-5-tripropylsilyloxynon-1-en-3-yne
CID 531309
2,7-Dimethyl-4-trihexylsilyloxyoct-7-en-5-yne
CID 531319
2,6-Dimethyl-5-trihehylsilyloxynon-1-en-3-yne
CID 531320
2,7-Dimethyl-4-tributylsilyloxyoct-7-en-5-yne
CID 531338

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyloct-7-en-5-yn-4-yloxy-diethyl-heptoxysilane?
The IUPAC name of 2,7-dimethyloct-7-en-5-yn-4-yloxy-diethyl-heptoxysilane (CID 91742534) is 2,7-dimethyloct-7-en-5-yn-4-yloxy-diethyl-heptoxysilane.
What is the SMILES notation for 2,7-dimethyloct-7-en-5-yn-4-yloxy-diethyl-heptoxysilane?
The canonical SMILES for 2,7-dimethyloct-7-en-5-yn-4-yloxy-diethyl-heptoxysilane is C=C(C)C#CC(CC(C)C)O[Si](CC)(CC)OCCCCCCC.
What is the InChIKey of 2,7-dimethyloct-7-en-5-yn-4-yloxy-diethyl-heptoxysilane?
The InChIKey is BKKXZJAVIVEZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40O2Si/c1-8-11-12-13-14-17-22-24(9-2,10-3)23-21(18-20(6)7)16-15-19(4)5/h20-21H,4,8-14,17-18H2,1-3,5-7H3.
What are the key properties of 2,7-dimethyloct-7-en-5-yn-4-yloxy-diethyl-heptoxysilane?
2,7-dimethyloct-7-en-5-yn-4-yloxy-diethyl-heptoxysilane has a molecular weight of 352.64 g/mol, XLogP of 6.47, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyloct-7-en-5-yn-4-yloxy-diethyl-heptoxysilane is sourced from PubChem (CID 91742534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).