3-[(2R,5S)-5-but-3-enyloxolan-2-yl]prop-1-ynyl-tri(propan-2-yl)silane

C20H36OSi — CID 162412726

IUPAC3-[(2R,5S)-5-but-3-enyloxolan-2-yl]prop-1-ynyl-tri(propan-2-yl)silane
SMILESC=CCC[C@H]1CC[C@H](CC#C[Si](C(C)C)(C(C)C)C(C)C)O1
InChIInChI=1S/C20H36OSi/c1-8-9-11-19-13-14-20(21-19)12-10-15-22(16(2)3,17(4)5)18(6)7/h8,16-20H,1,9,11-14H2,2-7H3/t19-,20-/m0/s1
InChIKeyZMOVIUSQQCAUGS-PMACEKPBSA-N
MW320.59 g/mol
LogP6.11
Rot. Bonds7

About 3-[(2R,5S)-5-but-3-enyloxolan-2-yl]prop-1-ynyl-tri(propan-2-yl)silane

3-[(2R,5S)-5-but-3-enyloxolan-2-yl]prop-1-ynyl-tri(propan-2-yl)silane (PubChem CID 162412726) has the molecular formula C20H36OSi and a molecular weight of 320.59 g/mol. Its IUPAC name is 3-[(2R,5S)-5-but-3-enyloxolan-2-yl]prop-1-ynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name3-[(2R,5S)-5-but-3-enyloxolan-2-yl]prop-1-ynyl-tri(propan-2-yl)silane
PubChem CID162412726
Molecular FormulaC20H36OSi
Molecular Weight320.59 g/mol
Exact Mass320.25
IUPAC Name3-[(2R,5S)-5-but-3-enyloxolan-2-yl]prop-1-ynyl-tri(propan-2-yl)silane
SMILESC=CCC[C@H]1CC[C@H](CC#C[Si](C(C)C)(C(C)C)C(C)C)O1
InChIInChI=1S/C20H36OSi/c1-8-9-11-19-13-14-20(21-19)12-10-15-22(16(2)3,17(4)5)18(6)7/h8,16-20H,1,9,11-14H2,2-7H3/t19-,20-/m0/s1
InChIKeyZMOVIUSQQCAUGS-PMACEKPBSA-N
XLogP6.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.59
LogP ≤ 56.11
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

2-[(2S,5Z,8S)-8-hexyl-3,4,7,8-tetrahydro-2H-oxocin-2-yl]ethynyl-trimethylsilane
CID 49782438
[(E)-2-(5-dodecyloxolan-2-yl)ethenyl]-triethylsilane
CID 101544371
3-[(4S)-dec-1-en-4-yl]oxyhept-6-en-1-ynyl-trimethylsilane
CID 135022517
trimethyl-[3-[(3S)-non-1-en-3-yl]oxyhept-6-en-1-ynyl]silane
CID 135022785
Trimethyl(3-non-1-en-5-yloxyhept-6-en-1-ynyl)silane
CID 135022876
2-[(5Z,8S)-8-hexyl-3,4,7,8-tetrahydro-2H-oxocin-2-yl]ethynyl-trimethylsilane
CID 135042235
trimethyl-[(1R)-1-[(4S)-non-1-en-4-yl]oxyhexyl]silane
CID 10827976
tert-butyl-dimethyl-[(4R)-1-trimethylsilyltetradec-13-en-1-yn-4-yl]oxysilane
CID 11858913
trimethyl-[(1S)-1-[(4R)-non-1-en-4-yl]oxyhexyl]silane
CID 21575585
tert-butyl-[(E)-4-(5-ethyloxolan-2-yl)but-1-enoxy]-dimethylsilane
CID 54753894
trimethyl-[(E)-1-(oxolan-2-yl)-4-trimethylsilylbut-3-en-2-yl]silane
CID 102520238

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,5S)-5-but-3-enyloxolan-2-yl]prop-1-ynyl-tri(propan-2-yl)silane?
The IUPAC name of 3-[(2R,5S)-5-but-3-enyloxolan-2-yl]prop-1-ynyl-tri(propan-2-yl)silane (CID 162412726) is 3-[(2R,5S)-5-but-3-enyloxolan-2-yl]prop-1-ynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 3-[(2R,5S)-5-but-3-enyloxolan-2-yl]prop-1-ynyl-tri(propan-2-yl)silane?
The canonical SMILES for 3-[(2R,5S)-5-but-3-enyloxolan-2-yl]prop-1-ynyl-tri(propan-2-yl)silane is C=CCC[C@H]1CC[C@H](CC#C[Si](C(C)C)(C(C)C)C(C)C)O1.
What is the InChIKey of 3-[(2R,5S)-5-but-3-enyloxolan-2-yl]prop-1-ynyl-tri(propan-2-yl)silane?
The InChIKey is ZMOVIUSQQCAUGS-PMACEKPBSA-N. The full InChI is InChI=1S/C20H36OSi/c1-8-9-11-19-13-14-20(21-19)12-10-15-22(16(2)3,17(4)5)18(6)7/h8,16-20H,1,9,11-14H2,2-7H3/t19-,20-/m0/s1.
What are the key properties of 3-[(2R,5S)-5-but-3-enyloxolan-2-yl]prop-1-ynyl-tri(propan-2-yl)silane?
3-[(2R,5S)-5-but-3-enyloxolan-2-yl]prop-1-ynyl-tri(propan-2-yl)silane has a molecular weight of 320.59 g/mol, XLogP of 6.11, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,5S)-5-but-3-enyloxolan-2-yl]prop-1-ynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 162412726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).