[(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylmethoxymethyl)cyclopenten-1-yl]methanol

C20H32O3Si — CID 68839728

IUPAC[(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylmethoxymethyl)cyclopenten-1-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC=C(CO)[C@@H]1COCc1ccccc1
InChIInChI=1S/C20H32O3Si/c1-20(2,3)24(4,5)23-19-12-11-17(13-21)18(19)15-22-14-16-9-7-6-8-10-16/h6-11,18-19,21H,12-15H2,1-5H3/t18-,19-/m0/s1
InChIKeyTXNDHUABBMDTTP-OALUTQOASA-N
MW348.56 g/mol
LogP4.53
Rot. Bonds7

About [(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylmethoxymethyl)cyclopenten-1-yl]methanol

[(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylmethoxymethyl)cyclopenten-1-yl]methanol (PubChem CID 68839728) has the molecular formula C20H32O3Si and a molecular weight of 348.56 g/mol. Its IUPAC name is [(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylmethoxymethyl)cyclopenten-1-yl]methanol.

Molecular Properties

Compound Name[(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylmethoxymethyl)cyclopenten-1-yl]methanol
PubChem CID68839728
Molecular FormulaC20H32O3Si
Molecular Weight348.56 g/mol
Exact Mass348.21
IUPAC Name[(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylmethoxymethyl)cyclopenten-1-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC=C(CO)[C@@H]1COCc1ccccc1
InChIInChI=1S/C20H32O3Si/c1-20(2,3)24(4,5)23-19-12-11-17(13-21)18(19)15-22-14-16-9-7-6-8-10-16/h6-11,18-19,21H,12-15H2,1-5H3/t18-,19-/m0/s1
InChIKeyTXNDHUABBMDTTP-OALUTQOASA-N
XLogP4.53
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.56
LogP ≤ 54.53
H-Bond Donors ≤ 51
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

(1S,2R,3R,4R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxy-4-(phenylmethoxymethyl)cyclohexane-1,2-diol
CID 53473858
(3R,4S,5S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-bis(phenylmethoxy)cycloheptan-1-ol
CID 101106224
tert-butyl-dimethyl-[[(1S,3R,5R,6S)-1-methyl-3-(phenylmethoxymethyl)-2,7-dioxabicyclo[4.1.0]heptan-5-yl]oxy]silane
CID 11382951
tert-butyl-dimethyl-[(2R,3R,5R)-2-[(E)-pent-2-enyl]-5-(phenylmethoxymethyl)oxolan-3-yl]oxysilane
CID 53350176
(2R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-ol
CID 71166590
(1S,2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-5-phenylmethoxycyclohexan-1-ol
CID 101116684
1-methoxy-4-[[(4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)cyclopenten-1-yl]methoxymethyl]benzene
CID 59434259
2-[(1R,3S,5R,6S,8R,10S,12R,13S)-5-[tert-butyl(dimethyl)silyl]oxy-8,10-dimethyl-13-phenylmethoxy-12-(phenylmethoxymethyl)-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecan-6-yl]acetic acid
CID 16720254
(2S,3S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-phenylmethoxyoxan-3-ol
CID 14160927
[(2R,3S,4aR,6S,7R,8aS)-6-[(Z)-3-(benzenesulfonyl)prop-2-enyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-7-yl]oxy-tert-butyl-dimethylsilane
CID 71537129
tert-butyl-[4-fluoro-1-(2-phenylmethoxyethyl)pyrrolidin-3-yl]oxy-dimethylsilane
CID 171837871
(2R,4S)-1-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-(phenylmethoxymethyl)pyrrolidin-1-ium-1-carboxylic acid
CID 68848838

Frequently Asked Questions

What is the IUPAC name of [(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylmethoxymethyl)cyclopenten-1-yl]methanol?
The IUPAC name of [(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylmethoxymethyl)cyclopenten-1-yl]methanol (CID 68839728) is [(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylmethoxymethyl)cyclopenten-1-yl]methanol.
What is the SMILES notation for [(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylmethoxymethyl)cyclopenten-1-yl]methanol?
The canonical SMILES for [(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylmethoxymethyl)cyclopenten-1-yl]methanol is CC(C)(C)[Si](C)(C)O[C@H]1CC=C(CO)[C@@H]1COCc1ccccc1.
What is the InChIKey of [(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylmethoxymethyl)cyclopenten-1-yl]methanol?
The InChIKey is TXNDHUABBMDTTP-OALUTQOASA-N. The full InChI is InChI=1S/C20H32O3Si/c1-20(2,3)24(4,5)23-19-12-11-17(13-21)18(19)15-22-14-16-9-7-6-8-10-16/h6-11,18-19,21H,12-15H2,1-5H3/t18-,19-/m0/s1.
What are the key properties of [(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylmethoxymethyl)cyclopenten-1-yl]methanol?
[(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylmethoxymethyl)cyclopenten-1-yl]methanol has a molecular weight of 348.56 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylmethoxymethyl)cyclopenten-1-yl]methanol is sourced from PubChem (CID 68839728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).