tert-butyl-[(2E)-2-[2-(oxan-2-yloxy)ethylidene]pentoxy]-diphenylsilane

C28H40O3Si — CID 171813189

IUPACtert-butyl-[(2E)-2-[2-(oxan-2-yloxy)ethylidene]pentoxy]-diphenylsilane
SMILESCCC/C(=C\COC1CCCCO1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H40O3Si/c1-5-14-24(20-22-30-27-19-12-13-21-29-27)23-31-32(28(2,3)4,25-15-8-6-9-16-25)26-17-10-7-11-18-26/h6-11,15-18,20,27H,5,12-14,19,21-23H2,1-4H3/b24-20+
InChIKeyDIDYNBRFOFABCV-HIXSDJFHSA-N
MW452.71 g/mol
LogP5.83
Rot. Bonds10

About tert-butyl-[(2E)-2-[2-(oxan-2-yloxy)ethylidene]pentoxy]-diphenylsilane

tert-butyl-[(2E)-2-[2-(oxan-2-yloxy)ethylidene]pentoxy]-diphenylsilane (PubChem CID 171813189) has the molecular formula C28H40O3Si and a molecular weight of 452.71 g/mol. Its IUPAC name is tert-butyl-[(2E)-2-[2-(oxan-2-yloxy)ethylidene]pentoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2E)-2-[2-(oxan-2-yloxy)ethylidene]pentoxy]-diphenylsilane
PubChem CID171813189
Molecular FormulaC28H40O3Si
Molecular Weight452.71 g/mol
Exact Mass452.27
IUPAC Nametert-butyl-[(2E)-2-[2-(oxan-2-yloxy)ethylidene]pentoxy]-diphenylsilane
SMILESCCC/C(=C\COC1CCCCO1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H40O3Si/c1-5-14-24(20-22-30-27-19-12-13-21-29-27)23-31-32(28(2,3)4,25-15-8-6-9-16-25)26-17-10-7-11-18-26/h6-11,15-18,20,27H,5,12-14,19,21-23H2,1-4H3/b24-20+
InChIKeyDIDYNBRFOFABCV-HIXSDJFHSA-N
XLogP5.83
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.71
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[1-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-iodo-5-(oxan-2-yloxy)pent-3-enoxy]-diphenylsilane
CID 139619866
tert-butyl-[19-(oxan-2-yloxy)nonadeca-5,14-diynoxy]-diphenylsilane
CID 145367352
tert-butyl-[[(1R,2S)-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopropyl]methoxy]-diphenylsilane
CID 166561282
[(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxepan-3-yl] formate
CID 10949681
[(E)-4-(oxan-2-yloxy)-3-triphenylsilylbut-2-enoxy]-triphenylsilane
CID 15400444
tert-butyl-[(5Z)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-[2-(oxan-2-yloxy)ethylidene]cyclohexyl]oxy-diphenylsilane
CID 139619868
(3S,4S,6S,8R,10S)-1-[tert-butyl(diphenyl)silyl]oxy-4,6,8,10-tetramethyl-11-(oxan-2-yloxy)undecan-3-ol
CID 175678466
(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(2R)-oxan-2-yl]ethanol
CID 15318695
5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyl-3-(oxan-2-yloxy)pentan-1-ol
CID 22244455
(2R,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-3-(oxan-2-yloxy)pent-4-en-1-ol
CID 10972716
tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane
CID 56616386
(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[1-(oxan-2-yloxy)cyclopropyl]ethanamine
CID 169181483

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2E)-2-[2-(oxan-2-yloxy)ethylidene]pentoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(2E)-2-[2-(oxan-2-yloxy)ethylidene]pentoxy]-diphenylsilane (CID 171813189) is tert-butyl-[(2E)-2-[2-(oxan-2-yloxy)ethylidene]pentoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2E)-2-[2-(oxan-2-yloxy)ethylidene]pentoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(2E)-2-[2-(oxan-2-yloxy)ethylidene]pentoxy]-diphenylsilane is CCC/C(=C\COC1CCCCO1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2E)-2-[2-(oxan-2-yloxy)ethylidene]pentoxy]-diphenylsilane?
The InChIKey is DIDYNBRFOFABCV-HIXSDJFHSA-N. The full InChI is InChI=1S/C28H40O3Si/c1-5-14-24(20-22-30-27-19-12-13-21-29-27)23-31-32(28(2,3)4,25-15-8-6-9-16-25)26-17-10-7-11-18-26/h6-11,15-18,20,27H,5,12-14,19,21-23H2,1-4H3/b24-20+.
What are the key properties of tert-butyl-[(2E)-2-[2-(oxan-2-yloxy)ethylidene]pentoxy]-diphenylsilane?
tert-butyl-[(2E)-2-[2-(oxan-2-yloxy)ethylidene]pentoxy]-diphenylsilane has a molecular weight of 452.71 g/mol, XLogP of 5.83, 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-(oxan-2-yloxy)ethylidene]pentoxy]-diphenylsilane is sourced from PubChem (CID 171813189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).