[(3R)-3,5-dimethylhex-1-yn-3-yl]oxy-[(3S)-3,5-dimethylhex-1-yn-3-yl]oxy-dimethylsilane

C18H32O2Si — CID 54269959

IUPAC[(3R)-3,5-dimethylhex-1-yn-3-yl]oxy-[(3S)-3,5-dimethylhex-1-yn-3-yl]oxy-dimethylsilane
SMILESC#C[C@@](C)(CC(C)C)O[Si](C)(C)O[C@](C)(C#C)CC(C)C
InChIInChI=1S/C18H32O2Si/c1-11-17(7,13-15(3)4)19-21(9,10)20-18(8,12-2)14-16(5)6/h1-2,15-16H,13-14H2,3-10H3/t17-,18+
InChIKeyRJKTWPICMLBCEL-HDICACEKSA-N
MW308.54 g/mol
LogP4.60
Rot. Bonds8

About [(3R)-3,5-dimethylhex-1-yn-3-yl]oxy-[(3S)-3,5-dimethylhex-1-yn-3-yl]oxy-dimethylsilane

[(3R)-3,5-dimethylhex-1-yn-3-yl]oxy-[(3S)-3,5-dimethylhex-1-yn-3-yl]oxy-dimethylsilane (PubChem CID 54269959) has the molecular formula C18H32O2Si and a molecular weight of 308.54 g/mol. Its IUPAC name is [(3R)-3,5-dimethylhex-1-yn-3-yl]oxy-[(3S)-3,5-dimethylhex-1-yn-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Name[(3R)-3,5-dimethylhex-1-yn-3-yl]oxy-[(3S)-3,5-dimethylhex-1-yn-3-yl]oxy-dimethylsilane
PubChem CID54269959
Molecular FormulaC18H32O2Si
Molecular Weight308.54 g/mol
Exact Mass308.22
IUPAC Name[(3R)-3,5-dimethylhex-1-yn-3-yl]oxy-[(3S)-3,5-dimethylhex-1-yn-3-yl]oxy-dimethylsilane
SMILESC#C[C@@](C)(CC(C)C)O[Si](C)(C)O[C@](C)(C#C)CC(C)C
InChIInChI=1S/C18H32O2Si/c1-11-17(7,13-15(3)4)19-21(9,10)20-18(8,12-2)14-16(5)6/h1-2,15-16H,13-14H2,3-10H3/t17-,18+
InChIKeyRJKTWPICMLBCEL-HDICACEKSA-N
XLogP4.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.54
LogP ≤ 54.60
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

[(3,5-Dimethylhex-1-yn-3-yl)oxy](trimethyl)silane
CID 22642351
Silane, dimethyldi(2-methyloct-5-yn-4-yloxy)-
CID 91735882
4,7-Bis(trimethylsiloxy)-2,4,7,9-tetramethyl-5-decyne
CID 91696953
2,4,7,9-Tetramethyldec-5-yne-4,7-diol, mono-trimethylsilyl ether
CID 91737715
Bis(3,5-dimethylhex-1-yn-3-yloxy)-dimethylsilane
CID 23450486
[(3S)-3,5-dimethylhex-1-yn-3-yl]oxy-trimethylsilane
CID 54540375
Tert-butyl-(2-methylhept-6-yn-2-yloxy)-di(propan-2-yl)silane
CID 59593923
tert-Butyl-dimethyl-(1-methyl-1-propyl-prop-2-ynyloxy)-silane
CID 85825722
tert-Butyl-(1-isobutyl-1-methyl-prop-2-ynyloxy)-dimethylsilane
CID 85825730
3,4-Dimethylhex-1-yn-3-yloxy(trimethyl)silane
CID 87393046
tert-butyl-[(3R)-3,5-dimethylhex-1-yn-3-yl]oxy-dimethylsilane
CID 88048171
tert-butyl-dimethyl-[(3R)-3-methylhex-1-yn-3-yl]oxysilane
CID 90955454

Frequently Asked Questions

What is the IUPAC name of [(3R)-3,5-dimethylhex-1-yn-3-yl]oxy-[(3S)-3,5-dimethylhex-1-yn-3-yl]oxy-dimethylsilane?
The IUPAC name of [(3R)-3,5-dimethylhex-1-yn-3-yl]oxy-[(3S)-3,5-dimethylhex-1-yn-3-yl]oxy-dimethylsilane (CID 54269959) is [(3R)-3,5-dimethylhex-1-yn-3-yl]oxy-[(3S)-3,5-dimethylhex-1-yn-3-yl]oxy-dimethylsilane.
What is the SMILES notation for [(3R)-3,5-dimethylhex-1-yn-3-yl]oxy-[(3S)-3,5-dimethylhex-1-yn-3-yl]oxy-dimethylsilane?
The canonical SMILES for [(3R)-3,5-dimethylhex-1-yn-3-yl]oxy-[(3S)-3,5-dimethylhex-1-yn-3-yl]oxy-dimethylsilane is C#C[C@@](C)(CC(C)C)O[Si](C)(C)O[C@](C)(C#C)CC(C)C.
What is the InChIKey of [(3R)-3,5-dimethylhex-1-yn-3-yl]oxy-[(3S)-3,5-dimethylhex-1-yn-3-yl]oxy-dimethylsilane?
The InChIKey is RJKTWPICMLBCEL-HDICACEKSA-N. The full InChI is InChI=1S/C18H32O2Si/c1-11-17(7,13-15(3)4)19-21(9,10)20-18(8,12-2)14-16(5)6/h1-2,15-16H,13-14H2,3-10H3/t17-,18+.
What are the key properties of [(3R)-3,5-dimethylhex-1-yn-3-yl]oxy-[(3S)-3,5-dimethylhex-1-yn-3-yl]oxy-dimethylsilane?
[(3R)-3,5-dimethylhex-1-yn-3-yl]oxy-[(3S)-3,5-dimethylhex-1-yn-3-yl]oxy-dimethylsilane has a molecular weight of 308.54 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3,5-dimethylhex-1-yn-3-yl]oxy-[(3S)-3,5-dimethylhex-1-yn-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 54269959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).