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

C29H56O2Si — CID 91745276

IUPAC2,7-dimethyloct-7-en-5-yn-4-yloxy-diethyl-pentadecoxysilane
SMILESC=C(C)C#CC(CC(C)C)O[Si](CC)(CC)OCCCCCCCCCCCCCCC
InChIInChI=1S/C29H56O2Si/c1-8-11-12-13-14-15-16-17-18-19-20-21-22-25-30-32(9-2,10-3)31-29(26-28(6)7)24-23-27(4)5/h28-29H,4,8-22,25-26H2,1-3,5-7H3
InChIKeyUMOGSAVUUIYZMR-UHFFFAOYSA-N
MW464.85 g/mol
LogP9.59
Rot. Bonds21

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

2,7-dimethyloct-7-en-5-yn-4-yloxy-diethyl-pentadecoxysilane (PubChem CID 91745276) has the molecular formula C29H56O2Si and a molecular weight of 464.85 g/mol. Its IUPAC name is 2,7-dimethyloct-7-en-5-yn-4-yloxy-diethyl-pentadecoxysilane.

Molecular Properties

Compound Name2,7-dimethyloct-7-en-5-yn-4-yloxy-diethyl-pentadecoxysilane
PubChem CID91745276
Molecular FormulaC29H56O2Si
Molecular Weight464.85 g/mol
Exact Mass464.40
IUPAC Name2,7-dimethyloct-7-en-5-yn-4-yloxy-diethyl-pentadecoxysilane
SMILESC=C(C)C#CC(CC(C)C)O[Si](CC)(CC)OCCCCCCCCCCCCCCC
InChIInChI=1S/C29H56O2Si/c1-8-11-12-13-14-15-16-17-18-19-20-21-22-25-30-32(9-2,10-3)31-29(26-28(6)7)24-23-27(4)5/h28-29H,4,8-22,25-26H2,1-3,5-7H3
InChIKeyUMOGSAVUUIYZMR-UHFFFAOYSA-N
XLogP9.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.85
LogP ≤ 59.59
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
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
2,7-Dimethyl-4-dimethyldodecylsilyloxyoct-7-en-5-yne
CID 531348

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyloct-7-en-5-yn-4-yloxy-diethyl-pentadecoxysilane?
The IUPAC name of 2,7-dimethyloct-7-en-5-yn-4-yloxy-diethyl-pentadecoxysilane (CID 91745276) is 2,7-dimethyloct-7-en-5-yn-4-yloxy-diethyl-pentadecoxysilane.
What is the SMILES notation for 2,7-dimethyloct-7-en-5-yn-4-yloxy-diethyl-pentadecoxysilane?
The canonical SMILES for 2,7-dimethyloct-7-en-5-yn-4-yloxy-diethyl-pentadecoxysilane is C=C(C)C#CC(CC(C)C)O[Si](CC)(CC)OCCCCCCCCCCCCCCC.
What is the InChIKey of 2,7-dimethyloct-7-en-5-yn-4-yloxy-diethyl-pentadecoxysilane?
The InChIKey is UMOGSAVUUIYZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H56O2Si/c1-8-11-12-13-14-15-16-17-18-19-20-21-22-25-30-32(9-2,10-3)31-29(26-28(6)7)24-23-27(4)5/h28-29H,4,8-22,25-26H2,1-3,5-7H3.
What are the key properties of 2,7-dimethyloct-7-en-5-yn-4-yloxy-diethyl-pentadecoxysilane?
2,7-dimethyloct-7-en-5-yn-4-yloxy-diethyl-pentadecoxysilane has a molecular weight of 464.85 g/mol, XLogP of 9.59, 21 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-pentadecoxysilane is sourced from PubChem (CID 91745276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).