[(3S,5R)-2,5-dimethyloct-1-en-7-yn-3-yl]oxy-tri(propan-2-yl)silane

C19H36OSi — CID 157359661

IUPAC[(3S,5R)-2,5-dimethyloct-1-en-7-yn-3-yl]oxy-tri(propan-2-yl)silane
SMILESC#CC[C@@H](C)C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C(=C)C
InChIInChI=1S/C19H36OSi/c1-11-12-18(10)13-19(14(2)3)20-21(15(4)5,16(6)7)17(8)9/h1,15-19H,2,12-13H2,3-10H3/t18-,19+/m1/s1
InChIKeyHRYTUDKNIJCPHT-MOPGFXCFSA-N
MW308.58 g/mol
LogP6.17
Rot. Bonds9

About [(3S,5R)-2,5-dimethyloct-1-en-7-yn-3-yl]oxy-tri(propan-2-yl)silane

[(3S,5R)-2,5-dimethyloct-1-en-7-yn-3-yl]oxy-tri(propan-2-yl)silane (PubChem CID 157359661) has the molecular formula C19H36OSi and a molecular weight of 308.58 g/mol. Its IUPAC name is [(3S,5R)-2,5-dimethyloct-1-en-7-yn-3-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(3S,5R)-2,5-dimethyloct-1-en-7-yn-3-yl]oxy-tri(propan-2-yl)silane
PubChem CID157359661
Molecular FormulaC19H36OSi
Molecular Weight308.58 g/mol
Exact Mass308.25
IUPAC Name[(3S,5R)-2,5-dimethyloct-1-en-7-yn-3-yl]oxy-tri(propan-2-yl)silane
SMILESC#CC[C@@H](C)C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C(=C)C
InChIInChI=1S/C19H36OSi/c1-11-12-18(10)13-19(14(2)3)20-21(15(4)5,16(6)7)17(8)9/h1,15-19H,2,12-13H2,3-10H3/t18-,19+/m1/s1
InChIKeyHRYTUDKNIJCPHT-MOPGFXCFSA-N
XLogP6.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.58
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Related Compounds

5-Butyldimethylsilyloxy-2,6-dimethylnon-1-en-3-yne
CID 531330
tert-butyl-[(1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methylhex-5-ynoxy]-dimethylsilane
CID 10643656
tert-butyl-[(1R,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methylhex-5-ynoxy]-dimethylsilane
CID 10667634
2,6-Dimethyl-5-triisobutylsilyloxynon-1-en-3-yne
CID 531265
2,6-Dimethyl-6-dimethylisopropylsilyloxynon-1-en-3-yne
CID 531291
2,6-Dimethyl-5-dimethyloctylsilyloxynon-1-en-3-yne
CID 531299
2,6-Dimethyl-5-tripropylsilyloxynon-1-en-3-yne
CID 531309
2,6-Dimethyl-5-trihehylsilyloxynon-1-en-3-yne
CID 531320
2,6-Dimethyl-5-dimethyldodecylsilyloxynon-1-en-3-yne
CID 531349
5-Diisopropylsilyloxy-2,6-dimethylnon-1-en-3-yne
CID 6327734
tert-butyl-dimethyl-[(2S)-2-methyl-2-[(2S)-3-methylbut-3-en-2-yl]dec-3-ynoxy]silane
CID 101400103
Tert-butyl-(7-cyclohexylhept-1-en-6-yn-3-yloxy)-dimethylsilane
CID 102331088

Frequently Asked Questions

What is the IUPAC name of [(3S,5R)-2,5-dimethyloct-1-en-7-yn-3-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(3S,5R)-2,5-dimethyloct-1-en-7-yn-3-yl]oxy-tri(propan-2-yl)silane (CID 157359661) is [(3S,5R)-2,5-dimethyloct-1-en-7-yn-3-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(3S,5R)-2,5-dimethyloct-1-en-7-yn-3-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(3S,5R)-2,5-dimethyloct-1-en-7-yn-3-yl]oxy-tri(propan-2-yl)silane is C#CC[C@@H](C)C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C(=C)C.
What is the InChIKey of [(3S,5R)-2,5-dimethyloct-1-en-7-yn-3-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is HRYTUDKNIJCPHT-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H36OSi/c1-11-12-18(10)13-19(14(2)3)20-21(15(4)5,16(6)7)17(8)9/h1,15-19H,2,12-13H2,3-10H3/t18-,19+/m1/s1.
What are the key properties of [(3S,5R)-2,5-dimethyloct-1-en-7-yn-3-yl]oxy-tri(propan-2-yl)silane?
[(3S,5R)-2,5-dimethyloct-1-en-7-yn-3-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 308.58 g/mol, XLogP of 6.17, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5R)-2,5-dimethyloct-1-en-7-yn-3-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 157359661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).