trimethyl-[(4R,5S,6S)-5-methyl-6-trimethylsilyloxyoct-7-en-1-yn-4-yl]oxysilane

C15H30O2Si2 — CID 56998113

IUPACtrimethyl-[(4R,5S,6S)-5-methyl-6-trimethylsilyloxyoct-7-en-1-yn-4-yl]oxysilane
SMILESC#CC[C@@H](O[Si](C)(C)C)[C@H](C)[C@H](C=C)O[Si](C)(C)C
InChIInChI=1S/C15H30O2Si2/c1-10-12-15(17-19(7,8)9)13(3)14(11-2)16-18(4,5)6/h1,11,13-15H,2,12H2,3-9H3/t13-,14+,15-/m1/s1
InChIKeyDHHRGRPPZWLBEF-QLFBSQMISA-N
MW298.58 g/mol
LogP4.27
Rot. Bonds8

About trimethyl-[(4R,5S,6S)-5-methyl-6-trimethylsilyloxyoct-7-en-1-yn-4-yl]oxysilane

trimethyl-[(4R,5S,6S)-5-methyl-6-trimethylsilyloxyoct-7-en-1-yn-4-yl]oxysilane (PubChem CID 56998113) has the molecular formula C15H30O2Si2 and a molecular weight of 298.58 g/mol. Its IUPAC name is trimethyl-[(4R,5S,6S)-5-methyl-6-trimethylsilyloxyoct-7-en-1-yn-4-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(4R,5S,6S)-5-methyl-6-trimethylsilyloxyoct-7-en-1-yn-4-yl]oxysilane
PubChem CID56998113
Molecular FormulaC15H30O2Si2
Molecular Weight298.58 g/mol
Exact Mass298.18
IUPAC Nametrimethyl-[(4R,5S,6S)-5-methyl-6-trimethylsilyloxyoct-7-en-1-yn-4-yl]oxysilane
SMILESC#CC[C@@H](O[Si](C)(C)C)[C@H](C)[C@H](C=C)O[Si](C)(C)C
InChIInChI=1S/C15H30O2Si2/c1-10-12-15(17-19(7,8)9)13(3)14(11-2)16-18(4,5)6/h1,11,13-15H,2,12H2,3-9H3/t13-,14+,15-/m1/s1
InChIKeyDHHRGRPPZWLBEF-QLFBSQMISA-N
XLogP4.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.58
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(4R,5S,6S)-5-methyl-6-trimethylsilyloxyoct-7-en-1-yn-4-yl]oxysilane?
The IUPAC name of trimethyl-[(4R,5S,6S)-5-methyl-6-trimethylsilyloxyoct-7-en-1-yn-4-yl]oxysilane (CID 56998113) is trimethyl-[(4R,5S,6S)-5-methyl-6-trimethylsilyloxyoct-7-en-1-yn-4-yl]oxysilane.
What is the SMILES notation for trimethyl-[(4R,5S,6S)-5-methyl-6-trimethylsilyloxyoct-7-en-1-yn-4-yl]oxysilane?
The canonical SMILES for trimethyl-[(4R,5S,6S)-5-methyl-6-trimethylsilyloxyoct-7-en-1-yn-4-yl]oxysilane is C#CC[C@@H](O[Si](C)(C)C)[C@H](C)[C@H](C=C)O[Si](C)(C)C.
What is the InChIKey of trimethyl-[(4R,5S,6S)-5-methyl-6-trimethylsilyloxyoct-7-en-1-yn-4-yl]oxysilane?
The InChIKey is DHHRGRPPZWLBEF-QLFBSQMISA-N. The full InChI is InChI=1S/C15H30O2Si2/c1-10-12-15(17-19(7,8)9)13(3)14(11-2)16-18(4,5)6/h1,11,13-15H,2,12H2,3-9H3/t13-,14+,15-/m1/s1.
What are the key properties of trimethyl-[(4R,5S,6S)-5-methyl-6-trimethylsilyloxyoct-7-en-1-yn-4-yl]oxysilane?
trimethyl-[(4R,5S,6S)-5-methyl-6-trimethylsilyloxyoct-7-en-1-yn-4-yl]oxysilane has a molecular weight of 298.58 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(4R,5S,6S)-5-methyl-6-trimethylsilyloxyoct-7-en-1-yn-4-yl]oxysilane is sourced from PubChem (CID 56998113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).