tert-butyl-[(E)-5-[(1S,2R)-2-ethenyl-1-methoxycyclopent-3-en-1-yl]pent-4-enoxy]-dimethylsilane

C19H34O2Si — CID 101079232

IUPACtert-butyl-[(E)-5-[(1S,2R)-2-ethenyl-1-methoxycyclopent-3-en-1-yl]pent-4-enoxy]-dimethylsilane
SMILESC=C[C@@H]1C=CC[C@@]1(/C=C/CCCO[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C19H34O2Si/c1-8-17-13-12-15-19(17,20-5)14-10-9-11-16-21-22(6,7)18(2,3)4/h8,10,12-14,17H,1,9,11,15-16H2,2-7H3/b14-10+/t17-,19-/m1/s1
InChIKeyOMGRHDJCAUBJSP-MDSZXXSUSA-N
MW322.57 g/mol
LogP5.49
Rot. Bonds8

About tert-butyl-[(E)-5-[(1S,2R)-2-ethenyl-1-methoxycyclopent-3-en-1-yl]pent-4-enoxy]-dimethylsilane

tert-butyl-[(E)-5-[(1S,2R)-2-ethenyl-1-methoxycyclopent-3-en-1-yl]pent-4-enoxy]-dimethylsilane (PubChem CID 101079232) has the molecular formula C19H34O2Si and a molecular weight of 322.57 g/mol. Its IUPAC name is tert-butyl-[(E)-5-[(1S,2R)-2-ethenyl-1-methoxycyclopent-3-en-1-yl]pent-4-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-5-[(1S,2R)-2-ethenyl-1-methoxycyclopent-3-en-1-yl]pent-4-enoxy]-dimethylsilane
PubChem CID101079232
Molecular FormulaC19H34O2Si
Molecular Weight322.57 g/mol
Exact Mass322.23
IUPAC Nametert-butyl-[(E)-5-[(1S,2R)-2-ethenyl-1-methoxycyclopent-3-en-1-yl]pent-4-enoxy]-dimethylsilane
SMILESC=C[C@@H]1C=CC[C@@]1(/C=C/CCCO[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C19H34O2Si/c1-8-17-13-12-15-19(17,20-5)14-10-9-11-16-21-22(6,7)18(2,3)4/h8,10,12-14,17H,1,9,11,15-16H2,2-7H3/b14-10+/t17-,19-/m1/s1
InChIKeyOMGRHDJCAUBJSP-MDSZXXSUSA-N
XLogP5.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.57
LogP ≤ 55.49
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl-[(E)-5-[(1S,2R)-2-ethenyl-1-methoxycyclopent-3-en-1-yl]pent-4-enoxy]-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,5R)-5-but-3-enyl-3,5-dimethyl-2H-furan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134931804
tert-butyl-[(3S,4S,5R,6Z)-3,8-dimethoxy-5,7-dimethylocta-1,6-dien-4-yl]oxy-dimethylsilane
CID 89389829
tert-butyl-[(3R,4S,5S,6Z)-3,8-dimethoxy-5,7-dimethylocta-1,6-dien-4-yl]oxy-dimethylsilane
CID 89389832
Tert-butyl-[tert-butyl-[(1-methoxycyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-[(1-methoxycyclopent-2-en-1-yl)methyl]-methylsilane
CID 140983523
tert-butyl-[(3S,4S,5R)-3,8-dimethoxy-5,7-dimethylocta-1,6-dien-4-yl]oxy-dimethylsilane
CID 173499972
tert-butyl-[(E,7S)-7-methoxy-2,6-dimethylnon-4-en-3-yl]oxy-dimethylsilane
CID 173711334
tert-butyl-[[(1S)-2-methoxycyclopent-3-en-1-yl]methoxy]-dimethylsilane
CID 173833550
[(E)-4-[(2-methylpropan-2-yl)oxy]-2-[(1R)-3-trimethylstannylcyclopent-3-en-1-yl]but-2-enoxy]-tri(propan-2-yl)silane
CID 11005933
tributyl-[[(3R,6S)-1-oxaspiro[2.4]hept-4-en-6-yl]oxy]silane
CID 11758727
tert-butyl-[(2S)-2-[(2R)-2-[(E,2S)-6-methoxy-6-methylhept-4-en-2-yl]oxiran-2-yl]but-3-en-2-yl]oxy-dimethylsilane
CID 11810732
(4R,5R)-2,2-ditert-butyl-4-propan-2-yl-5-[(E)-prop-1-enyl]oxasilolane
CID 100957061
(4R,5R)-2,2-ditert-butyl-5-ethoxy-4-propan-2-yl-5-[(E)-prop-1-enyl]oxasilolane
CID 100957066

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-5-[(1S,2R)-2-ethenyl-1-methoxycyclopent-3-en-1-yl]pent-4-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-5-[(1S,2R)-2-ethenyl-1-methoxycyclopent-3-en-1-yl]pent-4-enoxy]-dimethylsilane (CID 101079232) is tert-butyl-[(E)-5-[(1S,2R)-2-ethenyl-1-methoxycyclopent-3-en-1-yl]pent-4-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-5-[(1S,2R)-2-ethenyl-1-methoxycyclopent-3-en-1-yl]pent-4-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-5-[(1S,2R)-2-ethenyl-1-methoxycyclopent-3-en-1-yl]pent-4-enoxy]-dimethylsilane is C=C[C@@H]1C=CC[C@@]1(/C=C/CCCO[Si](C)(C)C(C)(C)C)OC.
What is the InChIKey of tert-butyl-[(E)-5-[(1S,2R)-2-ethenyl-1-methoxycyclopent-3-en-1-yl]pent-4-enoxy]-dimethylsilane?
The InChIKey is OMGRHDJCAUBJSP-MDSZXXSUSA-N. The full InChI is InChI=1S/C19H34O2Si/c1-8-17-13-12-15-19(17,20-5)14-10-9-11-16-21-22(6,7)18(2,3)4/h8,10,12-14,17H,1,9,11,15-16H2,2-7H3/b14-10+/t17-,19-/m1/s1.
What are the key properties of tert-butyl-[(E)-5-[(1S,2R)-2-ethenyl-1-methoxycyclopent-3-en-1-yl]pent-4-enoxy]-dimethylsilane?
tert-butyl-[(E)-5-[(1S,2R)-2-ethenyl-1-methoxycyclopent-3-en-1-yl]pent-4-enoxy]-dimethylsilane has a molecular weight of 322.57 g/mol, XLogP of 5.49, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-5-[(1S,2R)-2-ethenyl-1-methoxycyclopent-3-en-1-yl]pent-4-enoxy]-dimethylsilane is sourced from PubChem (CID 101079232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).