[(E)-3-[(1S,2R,3S,4R)-4-ethenyl-2,3-bis(trimethylsilyloxymethyl)cyclopentyl]prop-2-enyl]-trimethylsilane

C21H44O2Si3 — CID 11246945

IUPAC[(E)-3-[(1S,2R,3S,4R)-4-ethenyl-2,3-bis(trimethylsilyloxymethyl)cyclopentyl]prop-2-enyl]-trimethylsilane
SMILESC=C[C@H]1C[C@@H](/C=C/C[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)[C@H]1CO[Si](C)(C)C
InChIInChI=1S/C21H44O2Si3/c1-11-18-15-19(13-12-14-24(2,3)4)21(17-23-26(8,9)10)20(18)16-22-25(5,6)7/h11-13,18-21H,1,14-17H2,2-10H3/b13-12+/t18-,19+,20-,21+/m0/s1
InChIKeyLAFMVRWYBVHUEE-LQDIXXOPSA-N
MW412.84 g/mol
LogP6.64
Rot. Bonds10

About [(E)-3-[(1S,2R,3S,4R)-4-ethenyl-2,3-bis(trimethylsilyloxymethyl)cyclopentyl]prop-2-enyl]-trimethylsilane

[(E)-3-[(1S,2R,3S,4R)-4-ethenyl-2,3-bis(trimethylsilyloxymethyl)cyclopentyl]prop-2-enyl]-trimethylsilane (PubChem CID 11246945) has the molecular formula C21H44O2Si3 and a molecular weight of 412.84 g/mol. Its IUPAC name is [(E)-3-[(1S,2R,3S,4R)-4-ethenyl-2,3-bis(trimethylsilyloxymethyl)cyclopentyl]prop-2-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-3-[(1S,2R,3S,4R)-4-ethenyl-2,3-bis(trimethylsilyloxymethyl)cyclopentyl]prop-2-enyl]-trimethylsilane
PubChem CID11246945
Molecular FormulaC21H44O2Si3
Molecular Weight412.84 g/mol
Exact Mass412.26
IUPAC Name[(E)-3-[(1S,2R,3S,4R)-4-ethenyl-2,3-bis(trimethylsilyloxymethyl)cyclopentyl]prop-2-enyl]-trimethylsilane
SMILESC=C[C@H]1C[C@@H](/C=C/C[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)[C@H]1CO[Si](C)(C)C
InChIInChI=1S/C21H44O2Si3/c1-11-18-15-19(13-12-14-24(2,3)4)21(17-23-26(8,9)10)20(18)16-22-25(5,6)7/h11-13,18-21H,1,14-17H2,2-10H3/b13-12+/t18-,19+,20-,21+/m0/s1
InChIKeyLAFMVRWYBVHUEE-LQDIXXOPSA-N
XLogP6.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.84
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

tert-butyl-[[(1R,2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]-dimethylsilane
CID 11003486
5-(Trimethylsiloxymethyl)norbornene
CID 14197921
5,6-Bis((t-butyldimethylsiloxy)methyl)-2-norbornene
CID 85362869
tert-butyl-[[(1R,2S,3R,6S,7R,8S)-6-[tert-butyl(dimethyl)silyl]oxy-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl]oxy]-dimethylsilane
CID 10894797
5-(Triethylsiloxymethyl)norbornene
CID 85778197
tert-butyl-[[(1R,3R,6S,8S)-6-[tert-butyl(dimethyl)silyl]oxy-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl]oxy]-dimethylsilane
CID 100920342
[(1S,3aR,4R,5S,7aS)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-7a-methyl-5-propan-2-yl-1,2,3,3a,4,5-hexahydroinden-4-yl]methoxy-tert-butyl-dimethylsilane
CID 135036073
Tri(propan-2-yl)-[[3-[tri(propan-2-yl)silyloxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]silane
CID 162415650
Trimethyl-[[3-(trimethylsilyloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methoxy]silane
CID 14336950
CID 20589043
CID 20589043
trimethyl-[2-(2-oct-7-enoxyethyl)-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]silane
CID 57124846
tert-butyl-[8-[tert-butyl(dimethyl)silyl]oxy-1-[(1S,2S,3S,5R)-3,5-dimethyl-2-prop-2-enylcyclopentyl]octan-3-yl]oxy-dimethylsilane
CID 68010316

Frequently Asked Questions

What is the IUPAC name of [(E)-3-[(1S,2R,3S,4R)-4-ethenyl-2,3-bis(trimethylsilyloxymethyl)cyclopentyl]prop-2-enyl]-trimethylsilane?
The IUPAC name of [(E)-3-[(1S,2R,3S,4R)-4-ethenyl-2,3-bis(trimethylsilyloxymethyl)cyclopentyl]prop-2-enyl]-trimethylsilane (CID 11246945) is [(E)-3-[(1S,2R,3S,4R)-4-ethenyl-2,3-bis(trimethylsilyloxymethyl)cyclopentyl]prop-2-enyl]-trimethylsilane.
What is the SMILES notation for [(E)-3-[(1S,2R,3S,4R)-4-ethenyl-2,3-bis(trimethylsilyloxymethyl)cyclopentyl]prop-2-enyl]-trimethylsilane?
The canonical SMILES for [(E)-3-[(1S,2R,3S,4R)-4-ethenyl-2,3-bis(trimethylsilyloxymethyl)cyclopentyl]prop-2-enyl]-trimethylsilane is C=C[C@H]1C[C@@H](/C=C/C[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)[C@H]1CO[Si](C)(C)C.
What is the InChIKey of [(E)-3-[(1S,2R,3S,4R)-4-ethenyl-2,3-bis(trimethylsilyloxymethyl)cyclopentyl]prop-2-enyl]-trimethylsilane?
The InChIKey is LAFMVRWYBVHUEE-LQDIXXOPSA-N. The full InChI is InChI=1S/C21H44O2Si3/c1-11-18-15-19(13-12-14-24(2,3)4)21(17-23-26(8,9)10)20(18)16-22-25(5,6)7/h11-13,18-21H,1,14-17H2,2-10H3/b13-12+/t18-,19+,20-,21+/m0/s1.
What are the key properties of [(E)-3-[(1S,2R,3S,4R)-4-ethenyl-2,3-bis(trimethylsilyloxymethyl)cyclopentyl]prop-2-enyl]-trimethylsilane?
[(E)-3-[(1S,2R,3S,4R)-4-ethenyl-2,3-bis(trimethylsilyloxymethyl)cyclopentyl]prop-2-enyl]-trimethylsilane has a molecular weight of 412.84 g/mol, XLogP of 6.64, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-[(1S,2R,3S,4R)-4-ethenyl-2,3-bis(trimethylsilyloxymethyl)cyclopentyl]prop-2-enyl]-trimethylsilane is sourced from PubChem (CID 11246945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).