[(E)-3-[2-ethyl-3,5-bis(trimethylsilyloxy)cyclopentyl]prop-2-enoxy]-trimethylsilane

C19H42O3Si3 — CID 5374905

IUPAC[(E)-3-[2-ethyl-3,5-bis(trimethylsilyloxy)cyclopentyl]prop-2-enoxy]-trimethylsilane
SMILESCCC1C(O[Si](C)(C)C)CC(O[Si](C)(C)C)C1/C=C/CO[Si](C)(C)C
InChIInChI=1S/C19H42O3Si3/c1-11-16-17(13-12-14-20-23(2,3)4)19(22-25(8,9)10)15-18(16)21-24(5,6)7/h12-13,16-19H,11,14-15H2,1-10H3/b13-12+
InChIKeyPLWCBLDBSULCJT-OUKQBFOZSA-N
MW402.80 g/mol
LogP5.88
Rot. Bonds9

About [(E)-3-[2-ethyl-3,5-bis(trimethylsilyloxy)cyclopentyl]prop-2-enoxy]-trimethylsilane

[(E)-3-[2-ethyl-3,5-bis(trimethylsilyloxy)cyclopentyl]prop-2-enoxy]-trimethylsilane (PubChem CID 5374905) has the molecular formula C19H42O3Si3 and a molecular weight of 402.80 g/mol. Its IUPAC name is [(E)-3-[2-ethyl-3,5-bis(trimethylsilyloxy)cyclopentyl]prop-2-enoxy]-trimethylsilane.

Molecular Properties

Compound Name[(E)-3-[2-ethyl-3,5-bis(trimethylsilyloxy)cyclopentyl]prop-2-enoxy]-trimethylsilane
PubChem CID5374905
Molecular FormulaC19H42O3Si3
Molecular Weight402.80 g/mol
Exact Mass402.24
IUPAC Name[(E)-3-[2-ethyl-3,5-bis(trimethylsilyloxy)cyclopentyl]prop-2-enoxy]-trimethylsilane
SMILESCCC1C(O[Si](C)(C)C)CC(O[Si](C)(C)C)C1/C=C/CO[Si](C)(C)C
InChIInChI=1S/C19H42O3Si3/c1-11-16-17(13-12-14-20-23(2,3)4)19(22-25(8,9)10)15-18(16)21-24(5,6)7/h12-13,16-19H,11,14-15H2,1-10H3/b13-12+
InChIKeyPLWCBLDBSULCJT-OUKQBFOZSA-N
XLogP5.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.80
LogP ≤ 55.88
H-Bond Donors ≤ 50
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

[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(Z)-pent-2-enyl]cyclopentyl]methanol
CID 15343617
(3R,4R,5R)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-(7-hydroxyheptyl)cyclopentane-1,3-diol
CID 134870373
4-[(1R,2S,3S,3aR,4S,5R,7aS)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethenyl-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]butan-2-yloxy-tert-butyl-dimethylsilane
CID 134872600
(E,3S)-1-[(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethenylcyclopentyl]oct-1-en-3-ol
CID 134973152
methyl (Z)-6-[(1S,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(1E,5Z,8Z)-3-[tert-butyl(dimethyl)silyl]oxyundeca-1,5,8-trienyl]cyclopentyl]hex-4-enoate
CID 164667814
Pgf 2B, tms
CID 21160058
Pga2 tms
CID 91746941
Pgf 3A, tms
CID 91753005
Cyclopentane, 2-methyl-1,4-bis[(trimethylsilyl)oxy]-3-(2-propenyl)-
CID 553469
((2-(7-Methoxyheptyl)-3-(3-methyl-2-butenyl)-4-[(trimethylsilyl)oxy]cyclopentyl)oxy)(trimethyl)silane
CID 603386
Silane, [[4-(3-methyl-2-butenyl)-5-(8-methyl-7-nonenyl)-1,3-cyclopentanediyl]bis(oxy)]bis[trimethyl-
CID 628619
Prosta-5,13-dien-1-oic acid, 9,11,15-tris[(trimethylsilyl)oxy]-, trimethylsilyl ester, (5Z,9beta,11alpha,13E,15S)-
CID 5366438

Frequently Asked Questions

What is the IUPAC name of [(E)-3-[2-ethyl-3,5-bis(trimethylsilyloxy)cyclopentyl]prop-2-enoxy]-trimethylsilane?
The IUPAC name of [(E)-3-[2-ethyl-3,5-bis(trimethylsilyloxy)cyclopentyl]prop-2-enoxy]-trimethylsilane (CID 5374905) is [(E)-3-[2-ethyl-3,5-bis(trimethylsilyloxy)cyclopentyl]prop-2-enoxy]-trimethylsilane.
What is the SMILES notation for [(E)-3-[2-ethyl-3,5-bis(trimethylsilyloxy)cyclopentyl]prop-2-enoxy]-trimethylsilane?
The canonical SMILES for [(E)-3-[2-ethyl-3,5-bis(trimethylsilyloxy)cyclopentyl]prop-2-enoxy]-trimethylsilane is CCC1C(O[Si](C)(C)C)CC(O[Si](C)(C)C)C1/C=C/CO[Si](C)(C)C.
What is the InChIKey of [(E)-3-[2-ethyl-3,5-bis(trimethylsilyloxy)cyclopentyl]prop-2-enoxy]-trimethylsilane?
The InChIKey is PLWCBLDBSULCJT-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H42O3Si3/c1-11-16-17(13-12-14-20-23(2,3)4)19(22-25(8,9)10)15-18(16)21-24(5,6)7/h12-13,16-19H,11,14-15H2,1-10H3/b13-12+.
What are the key properties of [(E)-3-[2-ethyl-3,5-bis(trimethylsilyloxy)cyclopentyl]prop-2-enoxy]-trimethylsilane?
[(E)-3-[2-ethyl-3,5-bis(trimethylsilyloxy)cyclopentyl]prop-2-enoxy]-trimethylsilane has a molecular weight of 402.80 g/mol, XLogP of 5.88, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-[2-ethyl-3,5-bis(trimethylsilyloxy)cyclopentyl]prop-2-enoxy]-trimethylsilane is sourced from PubChem (CID 5374905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).