2-[tert-butyl(dimethyl)silyl]oxy-1-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]cyclopent-2-en-1-ol

C21H42O3Si2 — CID 135032019

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-1-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]cyclopent-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OC/C=C/CC1(O)CCC=C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O3Si2/c1-19(2,3)25(7,8)23-17-12-11-15-21(22)16-13-14-18(21)24-26(9,10)20(4,5)6/h11-12,14,22H,13,15-17H2,1-10H3/b12-11+
InChIKeyNAIOYKPQRFFLTO-VAWYXSNFSA-N
MW398.74 g/mol
LogP6.39
Rot. Bonds7

About 2-[tert-butyl(dimethyl)silyl]oxy-1-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]cyclopent-2-en-1-ol

2-[tert-butyl(dimethyl)silyl]oxy-1-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]cyclopent-2-en-1-ol (PubChem CID 135032019) has the molecular formula C21H42O3Si2 and a molecular weight of 398.74 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-1-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]cyclopent-2-en-1-ol.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-1-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]cyclopent-2-en-1-ol
PubChem CID135032019
Molecular FormulaC21H42O3Si2
Molecular Weight398.74 g/mol
Exact Mass398.27
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-1-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]cyclopent-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OC/C=C/CC1(O)CCC=C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O3Si2/c1-19(2,3)25(7,8)23-17-12-11-15-21(22)16-13-14-18(21)24-26(9,10)20(4,5)6/h11-12,14,22H,13,15-17H2,1-10H3/b12-11+
InChIKeyNAIOYKPQRFFLTO-VAWYXSNFSA-N
XLogP6.39
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.74
LogP ≤ 56.39
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

(E,5R)-5-methyl-5-tri(propan-2-yl)silyloxyoct-2-en-1-ol
CID 11709440
(E,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-4-en-3-ol
CID 53329570
(5R)-2-methyl-5-prop-1-en-2-yl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-ol
CID 134945472
2-[Tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclopent-2-en-1-ol
CID 135044795
(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(E)-4-ethenyl-4-trimethylsilyloxyoct-1-enyl]cyclopenten-1-ol
CID 22839331
(1RS,4RS)-4-allyl-4-hydroxy-2-cyclopenten-1-yl (t-butyldimethylsilyl) ether
CID 57172708
5-[Tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-1-prop-2-enylcyclopent-2-en-1-ol
CID 72957418
(1RS,4RS)-4-hydroxy-4-(3-trimethylsilyl-2-propynyl)-2-cyclopenten-1-yl (t-butyldimethylsilyl) ether
CID 86754280
1-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-2-en-1-ol
CID 140749946
4-[[Tert-butyl-[tert-butyl-[(4-hydroxy-4-prop-2-enylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-1-prop-2-enylcyclopent-2-en-1-ol
CID 142626661
(1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol
CID 10859820
(3Z,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethylhepta-3,6-diene-2,5-diol
CID 11099074

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-1-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]cyclopent-2-en-1-ol?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-1-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]cyclopent-2-en-1-ol (CID 135032019) is 2-[tert-butyl(dimethyl)silyl]oxy-1-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]cyclopent-2-en-1-ol.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-1-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]cyclopent-2-en-1-ol?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-1-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]cyclopent-2-en-1-ol is CC(C)(C)[Si](C)(C)OC/C=C/CC1(O)CCC=C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-1-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]cyclopent-2-en-1-ol?
The InChIKey is NAIOYKPQRFFLTO-VAWYXSNFSA-N. The full InChI is InChI=1S/C21H42O3Si2/c1-19(2,3)25(7,8)23-17-12-11-15-21(22)16-13-14-18(21)24-26(9,10)20(4,5)6/h11-12,14,22H,13,15-17H2,1-10H3/b12-11+.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-1-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]cyclopent-2-en-1-ol?
2-[tert-butyl(dimethyl)silyl]oxy-1-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]cyclopent-2-en-1-ol has a molecular weight of 398.74 g/mol, XLogP of 6.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-1-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]cyclopent-2-en-1-ol is sourced from PubChem (CID 135032019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).