dimethyl-bis(2-methyloct-5-yn-4-yloxy)silane

C20H36O2Si — CID 91735882

IUPACdimethyl-bis(2-methyloct-5-yn-4-yloxy)silane
SMILESCCC#CC(CC(C)C)O[Si](C)(C)OC(C#CCC)CC(C)C
InChIInChI=1S/C20H36O2Si/c1-9-11-13-19(15-17(3)4)21-23(7,8)22-20(14-12-10-2)16-18(5)6/h17-20H,9-10,15-16H2,1-8H3
InChIKeyXGOLCGDRMSUKAM-UHFFFAOYSA-N
MW336.59 g/mol
LogP5.38
Rot. Bonds8

About dimethyl-bis(2-methyloct-5-yn-4-yloxy)silane

dimethyl-bis(2-methyloct-5-yn-4-yloxy)silane (PubChem CID 91735882) has the molecular formula C20H36O2Si and a molecular weight of 336.59 g/mol. Its IUPAC name is dimethyl-bis(2-methyloct-5-yn-4-yloxy)silane.

Molecular Properties

Compound Namedimethyl-bis(2-methyloct-5-yn-4-yloxy)silane
PubChem CID91735882
Molecular FormulaC20H36O2Si
Molecular Weight336.59 g/mol
Exact Mass336.25
IUPAC Namedimethyl-bis(2-methyloct-5-yn-4-yloxy)silane
SMILESCCC#CC(CC(C)C)O[Si](C)(C)OC(C#CCC)CC(C)C
InChIInChI=1S/C20H36O2Si/c1-9-11-13-19(15-17(3)4)21-23(7,8)22-20(14-12-10-2)16-18(5)6/h17-20H,9-10,15-16H2,1-8H3
InChIKeyXGOLCGDRMSUKAM-UHFFFAOYSA-N
XLogP5.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.59
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-Methyl-4-triisobutylsilyloxyoct-5-yne
CID 531263
2-Methyl-4-trimethylsilyloxyoct-5-yne
CID 531270
4-Dimethylisopropylsilyloxy-2-methyloct-5-yne
CID 531289
4-Dimethyloctylsilyloxy-2-methyloct-5-yne
CID 531297
2-Methyl-4-tripropylsilyloxyoct-5-yne
CID 531307
2-Methyl-4-trihexylsilyloxyoct-5-yne
CID 531318
4-Butyldimethylsilyloxy-2-methyloct-5-yne
CID 531328
2-Methyl-4-tributylsilyloxyoct-5-yne
CID 531337
4-Dimethyldodecylsilyloxy-2-methyloct-5-yne
CID 531347
4-Cyclohexyldimethylsilyloxy-2-methyloct-5-yne
CID 531364
4-Diisopropylsilyloxy-2-methyloct-5-yne
CID 6327732
Silane, diethylisohexyloxy(4-methylpent-2-yloxy)-
CID 91698408

Frequently Asked Questions

What is the IUPAC name of dimethyl-bis(2-methyloct-5-yn-4-yloxy)silane?
The IUPAC name of dimethyl-bis(2-methyloct-5-yn-4-yloxy)silane (CID 91735882) is dimethyl-bis(2-methyloct-5-yn-4-yloxy)silane.
What is the SMILES notation for dimethyl-bis(2-methyloct-5-yn-4-yloxy)silane?
The canonical SMILES for dimethyl-bis(2-methyloct-5-yn-4-yloxy)silane is CCC#CC(CC(C)C)O[Si](C)(C)OC(C#CCC)CC(C)C.
What is the InChIKey of dimethyl-bis(2-methyloct-5-yn-4-yloxy)silane?
The InChIKey is XGOLCGDRMSUKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O2Si/c1-9-11-13-19(15-17(3)4)21-23(7,8)22-20(14-12-10-2)16-18(5)6/h17-20H,9-10,15-16H2,1-8H3.
What are the key properties of dimethyl-bis(2-methyloct-5-yn-4-yloxy)silane?
dimethyl-bis(2-methyloct-5-yn-4-yloxy)silane has a molecular weight of 336.59 g/mol, XLogP of 5.38, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis(2-methyloct-5-yn-4-yloxy)silane is sourced from PubChem (CID 91735882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).