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

C21H44O2Si3 — CID 90951281

IUPAC3-[(1S,2R,3S,4R)-4-ethenyl-2,3-bis(trimethylsilyloxymethyl)cyclopentyl]prop-2-enyl-trimethylsilane
SMILESC=C[C@H]1C[C@@H](C=CC[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/t18-,19+,20-,21+/m0/s1
InChIKeyLAFMVRWYBVHUEE-JSXRDJHFSA-N
MW412.84 g/mol
LogP6.64
Rot. Bonds10

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

3-[(1S,2R,3S,4R)-4-ethenyl-2,3-bis(trimethylsilyloxymethyl)cyclopentyl]prop-2-enyl-trimethylsilane (PubChem CID 90951281) has the molecular formula C21H44O2Si3 and a molecular weight of 412.84 g/mol. Its IUPAC name is 3-[(1S,2R,3S,4R)-4-ethenyl-2,3-bis(trimethylsilyloxymethyl)cyclopentyl]prop-2-enyl-trimethylsilane.

Molecular Properties

Compound Name3-[(1S,2R,3S,4R)-4-ethenyl-2,3-bis(trimethylsilyloxymethyl)cyclopentyl]prop-2-enyl-trimethylsilane
PubChem CID90951281
Molecular FormulaC21H44O2Si3
Molecular Weight412.84 g/mol
Exact Mass412.26
IUPAC Name3-[(1S,2R,3S,4R)-4-ethenyl-2,3-bis(trimethylsilyloxymethyl)cyclopentyl]prop-2-enyl-trimethylsilane
SMILESC=C[C@H]1C[C@@H](C=CC[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/t18-,19+,20-,21+/m0/s1
InChIKeyLAFMVRWYBVHUEE-JSXRDJHFSA-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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Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2R,3S,4R)-4-ethenyl-2,3-bis(trimethylsilyloxymethyl)cyclopentyl]prop-2-enyl-trimethylsilane?
The IUPAC name of 3-[(1S,2R,3S,4R)-4-ethenyl-2,3-bis(trimethylsilyloxymethyl)cyclopentyl]prop-2-enyl-trimethylsilane (CID 90951281) is 3-[(1S,2R,3S,4R)-4-ethenyl-2,3-bis(trimethylsilyloxymethyl)cyclopentyl]prop-2-enyl-trimethylsilane.
What is the SMILES notation for 3-[(1S,2R,3S,4R)-4-ethenyl-2,3-bis(trimethylsilyloxymethyl)cyclopentyl]prop-2-enyl-trimethylsilane?
The canonical SMILES for 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=CC[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)[C@H]1CO[Si](C)(C)C.
What is the InChIKey of 3-[(1S,2R,3S,4R)-4-ethenyl-2,3-bis(trimethylsilyloxymethyl)cyclopentyl]prop-2-enyl-trimethylsilane?
The InChIKey is LAFMVRWYBVHUEE-JSXRDJHFSA-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/t18-,19+,20-,21+/m0/s1.
What are the key properties of 3-[(1S,2R,3S,4R)-4-ethenyl-2,3-bis(trimethylsilyloxymethyl)cyclopentyl]prop-2-enyl-trimethylsilane?
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 3-[(1S,2R,3S,4R)-4-ethenyl-2,3-bis(trimethylsilyloxymethyl)cyclopentyl]prop-2-enyl-trimethylsilane is sourced from PubChem (CID 90951281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).