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

C19H34O2Si — CID 101079233

IUPACtert-butyl-[(E)-5-[(1R,5S)-5-ethenyl-5-methoxycyclopent-2-en-1-yl]pent-4-enoxy]-dimethylsilane
SMILESC=C[C@@]1(OC)CC=C[C@H]1/C=C/CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34O2Si/c1-8-19(20-5)15-12-14-17(19)13-10-9-11-16-21-22(6,7)18(2,3)4/h8,10,12-14,17H,1,9,11,15-16H2,2-7H3/b13-10+/t17-,19-/m1/s1
InChIKeyPRJKBIMPFOFJRI-GNCUJFGWSA-N
MW322.57 g/mol
LogP5.49
Rot. Bonds8

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

tert-butyl-[(E)-5-[(1R,5S)-5-ethenyl-5-methoxycyclopent-2-en-1-yl]pent-4-enoxy]-dimethylsilane (PubChem CID 101079233) has the molecular formula C19H34O2Si and a molecular weight of 322.57 g/mol. Its IUPAC name is tert-butyl-[(E)-5-[(1R,5S)-5-ethenyl-5-methoxycyclopent-2-en-1-yl]pent-4-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-5-[(1R,5S)-5-ethenyl-5-methoxycyclopent-2-en-1-yl]pent-4-enoxy]-dimethylsilane
PubChem CID101079233
Molecular FormulaC19H34O2Si
Molecular Weight322.57 g/mol
Exact Mass322.23
IUPAC Nametert-butyl-[(E)-5-[(1R,5S)-5-ethenyl-5-methoxycyclopent-2-en-1-yl]pent-4-enoxy]-dimethylsilane
SMILESC=C[C@@]1(OC)CC=C[C@H]1/C=C/CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34O2Si/c1-8-19(20-5)15-12-14-17(19)13-10-9-11-16-21-22(6,7)18(2,3)4/h8,10,12-14,17H,1,9,11,15-16H2,2-7H3/b13-10+/t17-,19-/m1/s1
InChIKeyPRJKBIMPFOFJRI-GNCUJFGWSA-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'}

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Related Compounds

tert-butyl-[(E)-hex-4-enoxy]-dimethylsilane
CID 15936622
2-[5-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-2,6,6-trimethylcyclohexen-1-yl]ethyl acetate
CID 10645167
2-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-3-methylcyclopentan-1-one
CID 177481769
tert-butyl-dimethyl-octadec-17-enoxysilane
CID 24879926
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CID 11310746
(4R)-4-[(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enyl]cyclopent-2-en-1-one
CID 140749971
tert-butyl-[(4E,6E,8E)-deca-4,6,8-trienoxy]-dimethylsilane
CID 134860974
(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-ol
CID 45101596
(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-amine
CID 121015221
tert-butyl-dimethyl-[(Z)-tetracos-15-enoxy]silane
CID 6430267
tert-butyl-[(Z)-icos-5-enoxy]-dimethylsilane
CID 6430269
tert-butyl-dimethyl-[(Z)-non-6-enoxy]silane
CID 59602006

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-5-[(1R,5S)-5-ethenyl-5-methoxycyclopent-2-en-1-yl]pent-4-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-5-[(1R,5S)-5-ethenyl-5-methoxycyclopent-2-en-1-yl]pent-4-enoxy]-dimethylsilane (CID 101079233) is tert-butyl-[(E)-5-[(1R,5S)-5-ethenyl-5-methoxycyclopent-2-en-1-yl]pent-4-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-5-[(1R,5S)-5-ethenyl-5-methoxycyclopent-2-en-1-yl]pent-4-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-5-[(1R,5S)-5-ethenyl-5-methoxycyclopent-2-en-1-yl]pent-4-enoxy]-dimethylsilane is C=C[C@@]1(OC)CC=C[C@H]1/C=C/CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E)-5-[(1R,5S)-5-ethenyl-5-methoxycyclopent-2-en-1-yl]pent-4-enoxy]-dimethylsilane?
The InChIKey is PRJKBIMPFOFJRI-GNCUJFGWSA-N. The full InChI is InChI=1S/C19H34O2Si/c1-8-19(20-5)15-12-14-17(19)13-10-9-11-16-21-22(6,7)18(2,3)4/h8,10,12-14,17H,1,9,11,15-16H2,2-7H3/b13-10+/t17-,19-/m1/s1.
What are the key properties of tert-butyl-[(E)-5-[(1R,5S)-5-ethenyl-5-methoxycyclopent-2-en-1-yl]pent-4-enoxy]-dimethylsilane?
tert-butyl-[(E)-5-[(1R,5S)-5-ethenyl-5-methoxycyclopent-2-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-[(1R,5S)-5-ethenyl-5-methoxycyclopent-2-en-1-yl]pent-4-enoxy]-dimethylsilane is sourced from PubChem (CID 101079233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).