[(1R,2S,5R)-2-[(Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enyl]-5-[(4-methoxyphenyl)methoxy]-2-methylcyclopentyl]methanol

C26H44O4Si — CID 10789658

IUPAC[(1R,2S,5R)-2-[(Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enyl]-5-[(4-methoxyphenyl)methoxy]-2-methylcyclopentyl]methanol
SMILESCOc1ccc(CO[C@@H]2CC[C@@](C)(C/C=C(/C)CO[Si](C)(C)C(C)(C)C)[C@@H]2CO)cc1
InChIInChI=1S/C26H44O4Si/c1-20(18-30-31(7,8)25(2,3)4)13-15-26(5)16-14-24(23(26)17-27)29-19-21-9-11-22(28-6)12-10-21/h9-13,23-24,27H,14-19H2,1-8H3/b20-13-/t23-,24-,26-/m1/s1
InChIKeyIRQRBODWQCZKGM-NZGCNMIFSA-N
MW448.72 g/mol
LogP6.35
Rot. Bonds10

About [(1R,2S,5R)-2-[(Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enyl]-5-[(4-methoxyphenyl)methoxy]-2-methylcyclopentyl]methanol

[(1R,2S,5R)-2-[(Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enyl]-5-[(4-methoxyphenyl)methoxy]-2-methylcyclopentyl]methanol (PubChem CID 10789658) has the molecular formula C26H44O4Si and a molecular weight of 448.72 g/mol. Its IUPAC name is [(1R,2S,5R)-2-[(Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enyl]-5-[(4-methoxyphenyl)methoxy]-2-methylcyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,2S,5R)-2-[(Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enyl]-5-[(4-methoxyphenyl)methoxy]-2-methylcyclopentyl]methanol
PubChem CID10789658
Molecular FormulaC26H44O4Si
Molecular Weight448.72 g/mol
Exact Mass448.30
IUPAC Name[(1R,2S,5R)-2-[(Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enyl]-5-[(4-methoxyphenyl)methoxy]-2-methylcyclopentyl]methanol
SMILESCOc1ccc(CO[C@@H]2CC[C@@](C)(C/C=C(/C)CO[Si](C)(C)C(C)(C)C)[C@@H]2CO)cc1
InChIInChI=1S/C26H44O4Si/c1-20(18-30-31(7,8)25(2,3)4)13-15-26(5)16-14-24(23(26)17-27)29-19-21-9-11-22(28-6)12-10-21/h9-13,23-24,27H,14-19H2,1-8H3/b20-13-/t23-,24-,26-/m1/s1
InChIKeyIRQRBODWQCZKGM-NZGCNMIFSA-N
XLogP6.35
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.72
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(1R,2S,5R)-2-[(Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enyl]-5-[(4-methoxyphenyl)methoxy]-2-methylcyclopentyl]methanol with MolForge

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Related Compounds

(1R,4S,4aS,5R,6R,8aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-methoxyphenyl)methoxy]-5,8a-dimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene-1,6-dicarbaldehyde
CID 24858141
(2E,4E)-5-[(1S,2S,5R)-2-[(Z)-4-chloro-3-methylbut-2-enyl]-5-[(4-methoxyphenyl)methoxy]-2-methylcyclopentyl]penta-2,4-dienal
CID 134924101
[(2R,3R,6Z,9R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(4-methoxyphenyl)methoxy]-7-methyl-2,3,4,5,8,9-hexahydrooxonin-9-yl]methanol
CID 24812879
(1R,4S,5S)-5-[(4-methoxyphenyl)methoxy]-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
CID 100964570
(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-4-methylpent-3-en-2-ol
CID 25257485
(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,3S,4R,5R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-iodo-4-[(4-methoxyphenyl)methoxy]-3-methyloxan-2-yl]methoxy]-dimethylsilane
CID 117071244
4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-en-1-ol
CID 71340946
[(3aR,4R,5S,6R,9aR)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-2,2-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxol-6-yl]methanol
CID 11598179
(1R,2S,3R,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3-[(4-methoxyphenyl)methoxy]cyclobutan-1-ol
CID 11233859
(E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-2-methylpent-2-enoic acid
CID 11349523
tert-butyl-[(1S,2S,3S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-2-[2-[(8S)-8-methyl-1,4-dioxaspiro[4.4]nonan-8-yl]ethyl]cyclohexyl]oxy-dimethylsilane
CID 11180140

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,5R)-2-[(Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enyl]-5-[(4-methoxyphenyl)methoxy]-2-methylcyclopentyl]methanol?
The IUPAC name of [(1R,2S,5R)-2-[(Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enyl]-5-[(4-methoxyphenyl)methoxy]-2-methylcyclopentyl]methanol (CID 10789658) is [(1R,2S,5R)-2-[(Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enyl]-5-[(4-methoxyphenyl)methoxy]-2-methylcyclopentyl]methanol.
What is the SMILES notation for [(1R,2S,5R)-2-[(Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enyl]-5-[(4-methoxyphenyl)methoxy]-2-methylcyclopentyl]methanol?
The canonical SMILES for [(1R,2S,5R)-2-[(Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enyl]-5-[(4-methoxyphenyl)methoxy]-2-methylcyclopentyl]methanol is COc1ccc(CO[C@@H]2CC[C@@](C)(C/C=C(/C)CO[Si](C)(C)C(C)(C)C)[C@@H]2CO)cc1.
What is the InChIKey of [(1R,2S,5R)-2-[(Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enyl]-5-[(4-methoxyphenyl)methoxy]-2-methylcyclopentyl]methanol?
The InChIKey is IRQRBODWQCZKGM-NZGCNMIFSA-N. The full InChI is InChI=1S/C26H44O4Si/c1-20(18-30-31(7,8)25(2,3)4)13-15-26(5)16-14-24(23(26)17-27)29-19-21-9-11-22(28-6)12-10-21/h9-13,23-24,27H,14-19H2,1-8H3/b20-13-/t23-,24-,26-/m1/s1.
What are the key properties of [(1R,2S,5R)-2-[(Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enyl]-5-[(4-methoxyphenyl)methoxy]-2-methylcyclopentyl]methanol?
[(1R,2S,5R)-2-[(Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enyl]-5-[(4-methoxyphenyl)methoxy]-2-methylcyclopentyl]methanol has a molecular weight of 448.72 g/mol, XLogP of 6.35, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,5R)-2-[(Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enyl]-5-[(4-methoxyphenyl)methoxy]-2-methylcyclopentyl]methanol is sourced from PubChem (CID 10789658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).