tert-butyl-[(1R,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(4-methoxyphenyl)methoxymethyl]-4-methyl-2-[(E)-2-methylbut-1-enyl]cyclopentyl]oxy-dimethylsilane

C32H58O4Si2 — CID 25227646

IUPACtert-butyl-[(1R,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(4-methoxyphenyl)methoxymethyl]-4-methyl-2-[(E)-2-methylbut-1-enyl]cyclopentyl]oxy-dimethylsilane
SMILESCC/C(C)=C/[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C[C@@]1(COCc1ccc(OC)cc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C32H58O4Si2/c1-15-24(2)20-28-29(35-37(11,12)30(4,5)6)25(3)21-32(28,36-38(13,14)31(7,8)9)23-34-22-26-16-18-27(33-10)19-17-26/h16-20,25,28-29H,15,21-23H2,1-14H3/b24-20+/t25-,28-,29+,32-/m0/s1
InChIKeyFNNWQVTWDOJWSF-ZNGILIHJSA-N
MW562.98 g/mol
LogP9.38
Rot. Bonds11

About tert-butyl-[(1R,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(4-methoxyphenyl)methoxymethyl]-4-methyl-2-[(E)-2-methylbut-1-enyl]cyclopentyl]oxy-dimethylsilane

tert-butyl-[(1R,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(4-methoxyphenyl)methoxymethyl]-4-methyl-2-[(E)-2-methylbut-1-enyl]cyclopentyl]oxy-dimethylsilane (PubChem CID 25227646) has the molecular formula C32H58O4Si2 and a molecular weight of 562.98 g/mol. Its IUPAC name is tert-butyl-[(1R,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(4-methoxyphenyl)methoxymethyl]-4-methyl-2-[(E)-2-methylbut-1-enyl]cyclopentyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(4-methoxyphenyl)methoxymethyl]-4-methyl-2-[(E)-2-methylbut-1-enyl]cyclopentyl]oxy-dimethylsilane
PubChem CID25227646
Molecular FormulaC32H58O4Si2
Molecular Weight562.98 g/mol
Exact Mass562.39
IUPAC Nametert-butyl-[(1R,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(4-methoxyphenyl)methoxymethyl]-4-methyl-2-[(E)-2-methylbut-1-enyl]cyclopentyl]oxy-dimethylsilane
SMILESCC/C(C)=C/[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C[C@@]1(COCc1ccc(OC)cc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C32H58O4Si2/c1-15-24(2)20-28-29(35-37(11,12)30(4,5)6)25(3)21-32(28,36-38(13,14)31(7,8)9)23-34-22-26-16-18-27(33-10)19-17-26/h16-20,25,28-29H,15,21-23H2,1-14H3/b24-20+/t25-,28-,29+,32-/m0/s1
InChIKeyFNNWQVTWDOJWSF-ZNGILIHJSA-N
XLogP9.38
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.98
LogP ≤ 59.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(1R,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-[(4-methoxyphenyl)methoxymethyl]-4-methylcyclopentan-1-ol
CID 25227644
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxymethyl]-3-methylcyclopentene-1-carbaldehyde
CID 25229280
cis-(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]cyclobutane-1,1-dicarbaldehyde
CID 101211129
(1R,2R,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclobutan-1-ol
CID 25257173
(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-4-methylpent-3-en-2-ol
CID 25257485
(1R,2S,3R,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3-[(4-methoxyphenyl)methoxy]cyclobutan-1-ol
CID 11233859
(E,2S,3R,6R)-1-[tert-butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylhept-4-en-3-ol
CID 14526006
(E,2R,3S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(4-methoxyphenyl)methoxy]-2,5-dimethylhex-4-en-3-ol
CID 134841574
tert-butyl-[(2S,3R,4S,6S)-6-methoxy-4-[(4-methoxyphenyl)methoxy]-2-methyloxan-3-yl]oxy-dimethylsilane
CID 134896322
[(1S,2Z,4R,5R,6R,7S,8R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7,8-dihydroxy-6-[(4-methoxyphenyl)methoxy]cyclooct-2-en-1-yl] acetate
CID 102390657
2-[(E)-3-[(4-methoxyphenyl)methoxy]-2-methylprop-1-enyl]-4,6-dimethyl-1,3-dioxane
CID 102353596
(1R)-1-[(2S,4S,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]-2-[(4-methoxyphenyl)methoxy]ethanol
CID 10502461

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(4-methoxyphenyl)methoxymethyl]-4-methyl-2-[(E)-2-methylbut-1-enyl]cyclopentyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(4-methoxyphenyl)methoxymethyl]-4-methyl-2-[(E)-2-methylbut-1-enyl]cyclopentyl]oxy-dimethylsilane (CID 25227646) is tert-butyl-[(1R,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(4-methoxyphenyl)methoxymethyl]-4-methyl-2-[(E)-2-methylbut-1-enyl]cyclopentyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(4-methoxyphenyl)methoxymethyl]-4-methyl-2-[(E)-2-methylbut-1-enyl]cyclopentyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(4-methoxyphenyl)methoxymethyl]-4-methyl-2-[(E)-2-methylbut-1-enyl]cyclopentyl]oxy-dimethylsilane is CC/C(C)=C/[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C[C@@]1(COCc1ccc(OC)cc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1R,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(4-methoxyphenyl)methoxymethyl]-4-methyl-2-[(E)-2-methylbut-1-enyl]cyclopentyl]oxy-dimethylsilane?
The InChIKey is FNNWQVTWDOJWSF-ZNGILIHJSA-N. The full InChI is InChI=1S/C32H58O4Si2/c1-15-24(2)20-28-29(35-37(11,12)30(4,5)6)25(3)21-32(28,36-38(13,14)31(7,8)9)23-34-22-26-16-18-27(33-10)19-17-26/h16-20,25,28-29H,15,21-23H2,1-14H3/b24-20+/t25-,28-,29+,32-/m0/s1.
What are the key properties of tert-butyl-[(1R,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(4-methoxyphenyl)methoxymethyl]-4-methyl-2-[(E)-2-methylbut-1-enyl]cyclopentyl]oxy-dimethylsilane?
tert-butyl-[(1R,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(4-methoxyphenyl)methoxymethyl]-4-methyl-2-[(E)-2-methylbut-1-enyl]cyclopentyl]oxy-dimethylsilane has a molecular weight of 562.98 g/mol, XLogP of 9.38, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(4-methoxyphenyl)methoxymethyl]-4-methyl-2-[(E)-2-methylbut-1-enyl]cyclopentyl]oxy-dimethylsilane is sourced from PubChem (CID 25227646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).