tert-butyl-[(2E)-2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilyloxycyclopenten-1-yl]penta-2,4-dienoxy]-dimethylsilane

C26H52O3Si3 — CID 11038372

IUPACtert-butyl-[(2E)-2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilyloxycyclopenten-1-yl]penta-2,4-dienoxy]-dimethylsilane
SMILESC=C/C=C(/CO[Si](C)(C)C(C)(C)C)C1=C(CO[Si](C)(C)C(C)(C)C)CCC1O[Si](C)(C)C
InChIInChI=1S/C26H52O3Si3/c1-15-16-21(19-27-31(11,12)25(2,3)4)24-22(17-18-23(24)29-30(8,9)10)20-28-32(13,14)26(5,6)7/h15-16,23H,1,17-20H2,2-14H3/b21-16-
InChIKeyMHEGFSJLEBYCMM-PGMHBOJBSA-N
MW496.96 g/mol
LogP8.45
Rot. Bonds10

About tert-butyl-[(2E)-2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilyloxycyclopenten-1-yl]penta-2,4-dienoxy]-dimethylsilane

tert-butyl-[(2E)-2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilyloxycyclopenten-1-yl]penta-2,4-dienoxy]-dimethylsilane (PubChem CID 11038372) has the molecular formula C26H52O3Si3 and a molecular weight of 496.96 g/mol. Its IUPAC name is tert-butyl-[(2E)-2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilyloxycyclopenten-1-yl]penta-2,4-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2E)-2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilyloxycyclopenten-1-yl]penta-2,4-dienoxy]-dimethylsilane
PubChem CID11038372
Molecular FormulaC26H52O3Si3
Molecular Weight496.96 g/mol
Exact Mass496.32
IUPAC Nametert-butyl-[(2E)-2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilyloxycyclopenten-1-yl]penta-2,4-dienoxy]-dimethylsilane
SMILESC=C/C=C(/CO[Si](C)(C)C(C)(C)C)C1=C(CO[Si](C)(C)C(C)(C)C)CCC1O[Si](C)(C)C
InChIInChI=1S/C26H52O3Si3/c1-15-16-21(19-27-31(11,12)25(2,3)4)24-22(17-18-23(24)29-30(8,9)10)20-28-32(13,14)26(5,6)7/h15-16,23H,1,17-20H2,2-14H3/b21-16-
InChIKeyMHEGFSJLEBYCMM-PGMHBOJBSA-N
XLogP8.45
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.96
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[3-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]-4-trimethylsilyloxycyclohex-2-en-1-yl]oxy-dimethylsilane
CID 11113802
tert-butyl-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylcyclohept-3-en-1-yl]oxy-dimethylsilane
CID 12162138
tert-butyl-[(Z,2R,6S)-6-[tert-butyl(dimethyl)silyl]oxyheptadec-8-en-2-yl]oxy-dimethylsilane
CID 25258171
tert-butyl-[(1R,4E)-3-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-en-2-yl]-4-(trimethylsilylmethylidene)cyclohex-2-en-1-yl]oxy-dimethylsilane
CID 101414672
tert-butyl-[(1R,4E)-3-[5-[tert-butyl(dimethyl)silyl]oxypent-1-en-2-yl]-4-(trimethylsilylmethylidene)cyclohex-2-en-1-yl]oxy-dimethylsilane
CID 101414674
[(2E,11E)-7,16-dimethylidene-10-triethylsilyloxycyclooctadeca-2,11-dien-1-yl]oxy-triethylsilane
CID 134930766
tert-butyl-[(5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyldeca-6,9-dienoxy]-dimethylsilane
CID 134960246
[(E,1R,5R)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyl-1-(2-methylidenepent-4-enyl)non-3-enoxy]-tert-butyl-dimethylsilane
CID 134960457
tert-butyl-dimethyl-[(1S)-1-[(Z,1S)-2-trimethylsilyl-1-tri(propan-2-yl)silyloxybut-2-enyl]hexoxy]silane
CID 135059486
[(2E)-1-(cyclohexen-1-yl)-3-triethylsilylhexa-2,5-dienoxy]-triethylsilane
CID 135068814
Triethyl-(2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxysilane
CID 19428655
(RS)-2-methyl-4-methylidene-3-(2-propenyl)-1-tert-butyldimethylsilyloxycyclopent-2-ene
CID 19428661

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2E)-2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilyloxycyclopenten-1-yl]penta-2,4-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2E)-2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilyloxycyclopenten-1-yl]penta-2,4-dienoxy]-dimethylsilane (CID 11038372) is tert-butyl-[(2E)-2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilyloxycyclopenten-1-yl]penta-2,4-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2E)-2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilyloxycyclopenten-1-yl]penta-2,4-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2E)-2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilyloxycyclopenten-1-yl]penta-2,4-dienoxy]-dimethylsilane is C=C/C=C(/CO[Si](C)(C)C(C)(C)C)C1=C(CO[Si](C)(C)C(C)(C)C)CCC1O[Si](C)(C)C.
What is the InChIKey of tert-butyl-[(2E)-2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilyloxycyclopenten-1-yl]penta-2,4-dienoxy]-dimethylsilane?
The InChIKey is MHEGFSJLEBYCMM-PGMHBOJBSA-N. The full InChI is InChI=1S/C26H52O3Si3/c1-15-16-21(19-27-31(11,12)25(2,3)4)24-22(17-18-23(24)29-30(8,9)10)20-28-32(13,14)26(5,6)7/h15-16,23H,1,17-20H2,2-14H3/b21-16-.
What are the key properties of tert-butyl-[(2E)-2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilyloxycyclopenten-1-yl]penta-2,4-dienoxy]-dimethylsilane?
tert-butyl-[(2E)-2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilyloxycyclopenten-1-yl]penta-2,4-dienoxy]-dimethylsilane has a molecular weight of 496.96 g/mol, XLogP of 8.45, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2E)-2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilyloxycyclopenten-1-yl]penta-2,4-dienoxy]-dimethylsilane is sourced from PubChem (CID 11038372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).