2-[[2-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enyl]-5-(2-trimethylsilylethoxymethoxy)phenoxy]methoxy]ethyl-trimethylsilane

C28H50O5Si2 — CID 135073358

IUPAC2-[[2-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enyl]-5-(2-trimethylsilylethoxymethoxy)phenoxy]methoxy]ethyl-trimethylsilane
SMILESC/C(=C\Cc1ccc(OCOCC[Si](C)(C)C)cc1OCOCC[Si](C)(C)C)CC[C@H]1OC1(C)C
InChIInChI=1S/C28H50O5Si2/c1-23(11-15-27-28(2,3)33-27)10-12-24-13-14-25(31-21-29-16-18-34(4,5)6)20-26(24)32-22-30-17-19-35(7,8)9/h10,13-14,20,27H,11-12,15-19,21-22H2,1-9H3/b23-10+/t27-/m1/s1
InChIKeyMEHGBUZKMUXPBL-AGKRTQFKSA-N
MW522.88 g/mol
LogP7.52
Rot. Bonds17

About 2-[[2-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enyl]-5-(2-trimethylsilylethoxymethoxy)phenoxy]methoxy]ethyl-trimethylsilane

2-[[2-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enyl]-5-(2-trimethylsilylethoxymethoxy)phenoxy]methoxy]ethyl-trimethylsilane (PubChem CID 135073358) has the molecular formula C28H50O5Si2 and a molecular weight of 522.88 g/mol. Its IUPAC name is 2-[[2-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enyl]-5-(2-trimethylsilylethoxymethoxy)phenoxy]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[2-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enyl]-5-(2-trimethylsilylethoxymethoxy)phenoxy]methoxy]ethyl-trimethylsilane
PubChem CID135073358
Molecular FormulaC28H50O5Si2
Molecular Weight522.88 g/mol
Exact Mass522.32
IUPAC Name2-[[2-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enyl]-5-(2-trimethylsilylethoxymethoxy)phenoxy]methoxy]ethyl-trimethylsilane
SMILESC/C(=C\Cc1ccc(OCOCC[Si](C)(C)C)cc1OCOCC[Si](C)(C)C)CC[C@H]1OC1(C)C
InChIInChI=1S/C28H50O5Si2/c1-23(11-15-27-28(2,3)33-27)10-12-24-13-14-25(31-21-29-16-18-34(4,5)6)20-26(24)32-22-30-17-19-35(7,8)9/h10,13-14,20,27H,11-12,15-19,21-22H2,1-9H3/b23-10+/t27-/m1/s1
InChIKeyMEHGBUZKMUXPBL-AGKRTQFKSA-N
XLogP7.52
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.88
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[[2-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enyl]-5-(2-trimethylsilylethoxymethoxy)phenoxy]methoxy]ethyl-trimethylsilane with MolForge

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Related Compounds

3-[(E)-5-[2,4-bis(methoxymethoxy)phenyl]-3-methylpent-3-enyl]-2,2-dimethyloxirane
CID 102590625
(3R)-3-[(E)-5-[2,4-bis(2-methylbut-3-en-2-yloxy)phenyl]-3-methylpent-3-enyl]-2,2-dimethyloxirane
CID 102433924
2-bromo-4-(2-trimethylsilylethoxymethoxy)benzaldehyde
CID 166176313
3-[(3E,7E)-9-(3-ethylphenoxy)-3,7-dimethylnona-3,7-dienyl]-2,2-dimethyloxirane
CID 5383795
trimethyl-[2-[[2-[2-(2-trimethylsilylethoxymethoxy)phenyl]phenoxy]methoxy]ethyl]silane
CID 101047585
2,2-dimethyl-3-[3-methyl-5-(2-methylphenyl)sulfinylpent-3-enyl]oxirane
CID 149158272
2-[[2-(1-cyclopropylideneethyl)-5-methylphenoxy]methoxy]ethyl-trimethylsilane
CID 10859695
2,2-dimethyl-3-[(E)-3-methyl-5-(2-methylphenyl)sulfinylpent-3-enyl]oxirane
CID 88829405
4-iodo-2-(2-trimethylsilylethoxymethoxy)phenol
CID 140903839
5-[5-(2,2-dimethylcyclopropyl)-3-methylpent-2-enoxy]-1,3-benzodioxole
CID 70122710
tert-butyl-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]-diphenylsilane
CID 100941395
2-[(4-ethenyl-2-ethoxyphenoxy)methoxy]ethyl-trimethylsilane
CID 168749605

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enyl]-5-(2-trimethylsilylethoxymethoxy)phenoxy]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[2-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enyl]-5-(2-trimethylsilylethoxymethoxy)phenoxy]methoxy]ethyl-trimethylsilane (CID 135073358) is 2-[[2-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enyl]-5-(2-trimethylsilylethoxymethoxy)phenoxy]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[2-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enyl]-5-(2-trimethylsilylethoxymethoxy)phenoxy]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[2-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enyl]-5-(2-trimethylsilylethoxymethoxy)phenoxy]methoxy]ethyl-trimethylsilane is C/C(=C\Cc1ccc(OCOCC[Si](C)(C)C)cc1OCOCC[Si](C)(C)C)CC[C@H]1OC1(C)C.
What is the InChIKey of 2-[[2-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enyl]-5-(2-trimethylsilylethoxymethoxy)phenoxy]methoxy]ethyl-trimethylsilane?
The InChIKey is MEHGBUZKMUXPBL-AGKRTQFKSA-N. The full InChI is InChI=1S/C28H50O5Si2/c1-23(11-15-27-28(2,3)33-27)10-12-24-13-14-25(31-21-29-16-18-34(4,5)6)20-26(24)32-22-30-17-19-35(7,8)9/h10,13-14,20,27H,11-12,15-19,21-22H2,1-9H3/b23-10+/t27-/m1/s1.
What are the key properties of 2-[[2-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enyl]-5-(2-trimethylsilylethoxymethoxy)phenoxy]methoxy]ethyl-trimethylsilane?
2-[[2-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enyl]-5-(2-trimethylsilylethoxymethoxy)phenoxy]methoxy]ethyl-trimethylsilane has a molecular weight of 522.88 g/mol, XLogP of 7.52, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enyl]-5-(2-trimethylsilylethoxymethoxy)phenoxy]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 135073358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).