[2-[4-[2-[2-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethoxy]ethoxy]phenyl]pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane

C28H42N2O7Si — CID 154608144

IUPAC[2-[4-[2-[2-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethoxy]ethoxy]phenyl]pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane
SMILESCO[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2OCCOCCOc1ccc(-c2nccc(CO[Si](C)(C)C(C)(C)C)n2)cc1
InChIInChI=1S/C28H42N2O7Si/c1-28(2,3)38(5,6)37-17-21-11-12-29-27(30-21)20-7-9-22(10-8-20)33-15-13-32-14-16-34-24-19-36-25-23(31-4)18-35-26(24)25/h7-12,23-26H,13-19H2,1-6H3/t23-,24-,25-,26-/m1/s1
InChIKeyMDPKSIWXRSCSFS-VEYUFSJPSA-N
MW546.74 g/mol
LogP4.26
Rot. Bonds13

About [2-[4-[2-[2-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethoxy]ethoxy]phenyl]pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane

[2-[4-[2-[2-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethoxy]ethoxy]phenyl]pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 154608144) has the molecular formula C28H42N2O7Si and a molecular weight of 546.74 g/mol. Its IUPAC name is [2-[4-[2-[2-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethoxy]ethoxy]phenyl]pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[2-[4-[2-[2-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethoxy]ethoxy]phenyl]pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID154608144
Molecular FormulaC28H42N2O7Si
Molecular Weight546.74 g/mol
Exact Mass546.28
IUPAC Name[2-[4-[2-[2-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethoxy]ethoxy]phenyl]pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane
SMILESCO[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2OCCOCCOc1ccc(-c2nccc(CO[Si](C)(C)C(C)(C)C)n2)cc1
InChIInChI=1S/C28H42N2O7Si/c1-28(2,3)38(5,6)37-17-21-11-12-29-27(30-21)20-7-9-22(10-8-20)33-15-13-32-14-16-34-24-19-36-25-23(31-4)18-35-26(24)25/h7-12,23-26H,13-19H2,1-6H3/t23-,24-,25-,26-/m1/s1
InChIKeyMDPKSIWXRSCSFS-VEYUFSJPSA-N
XLogP4.26
TPSA90.39 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.74
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [2-[4-[2-[2-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethoxy]ethoxy]phenyl]pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane with MolForge

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Related Compounds

2-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]phenyl]ethanol
CID 150670696
[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]phenyl]methanol
CID 152503696
tert-butyl-[[2-[(4S)-4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-4-methylcyclohexen-1-yl]pyrimidin-4-yl]methoxy]-dimethylsilane
CID 150467451
[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrimidin-4-yl]methanol
CID 140964248
tert-butyl-[[2-[(2R)-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]morpholin-4-yl]pyrimidin-4-yl]methoxy]-dimethylsilane
CID 154608132
(3R,3aR,6S,6aR)-6-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 160626165
tert-butyl-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]-dimethylsilane
CID 58324093
4-[4-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]phenyl]phenol
CID 142544530
4-[2-[4-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]phenyl]ethynyl]aniline
CID 16659289
2-(4-hexoxyphenyl)-4-hexylpyrimidine
CID 70349513
[4-[2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-(4-chlorophenyl)methanone
CID 164811325
tert-butyl-dimethyl-[2-(4-propoxyphenoxy)ethoxy]silane
CID 22032995

Frequently Asked Questions

What is the IUPAC name of [2-[4-[2-[2-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethoxy]ethoxy]phenyl]pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [2-[4-[2-[2-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethoxy]ethoxy]phenyl]pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane (CID 154608144) is [2-[4-[2-[2-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethoxy]ethoxy]phenyl]pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [2-[4-[2-[2-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethoxy]ethoxy]phenyl]pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [2-[4-[2-[2-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethoxy]ethoxy]phenyl]pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane is CO[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2OCCOCCOc1ccc(-c2nccc(CO[Si](C)(C)C(C)(C)C)n2)cc1.
What is the InChIKey of [2-[4-[2-[2-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethoxy]ethoxy]phenyl]pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is MDPKSIWXRSCSFS-VEYUFSJPSA-N. The full InChI is InChI=1S/C28H42N2O7Si/c1-28(2,3)38(5,6)37-17-21-11-12-29-27(30-21)20-7-9-22(10-8-20)33-15-13-32-14-16-34-24-19-36-25-23(31-4)18-35-26(24)25/h7-12,23-26H,13-19H2,1-6H3/t23-,24-,25-,26-/m1/s1.
What are the key properties of [2-[4-[2-[2-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethoxy]ethoxy]phenyl]pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane?
[2-[4-[2-[2-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethoxy]ethoxy]phenyl]pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 546.74 g/mol, XLogP of 4.26, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[2-[2-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethoxy]ethoxy]phenyl]pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 154608144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).