3-[(1R,2S,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenylcyclopentyl]prop-2-enyl-trimethylsilane

C27H56O2Si3 — CID 57372727

IUPAC3-[(1R,2S,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenylcyclopentyl]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)(C)C)[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H56O2Si3/c1-15-22-19-23(17-16-18-30(8,9)10)25(21-29-32(13,14)27(5,6)7)24(22)20-28-31(11,12)26(2,3)4/h15-17,22-25H,1,18-21H2,2-14H3/t22-,23+,24-,25+/m1/s1
InChIKeyCORFZJCKZHLHPD-RCTAOEEJSA-N
MW497.00 g/mol
LogP8.98
Rot. Bonds10

About 3-[(1R,2S,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenylcyclopentyl]prop-2-enyl-trimethylsilane

3-[(1R,2S,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenylcyclopentyl]prop-2-enyl-trimethylsilane (PubChem CID 57372727) has the molecular formula C27H56O2Si3 and a molecular weight of 497.00 g/mol. Its IUPAC name is 3-[(1R,2S,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenylcyclopentyl]prop-2-enyl-trimethylsilane.

Molecular Properties

Compound Name3-[(1R,2S,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenylcyclopentyl]prop-2-enyl-trimethylsilane
PubChem CID57372727
Molecular FormulaC27H56O2Si3
Molecular Weight497.00 g/mol
Exact Mass496.36
IUPAC Name3-[(1R,2S,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenylcyclopentyl]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)(C)C)[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H56O2Si3/c1-15-22-19-23(17-16-18-30(8,9)10)25(21-29-32(13,14)27(5,6)7)24(22)20-28-31(11,12)26(2,3)4/h15-17,22-25H,1,18-21H2,2-14H3/t22-,23+,24-,25+/m1/s1
InChIKeyCORFZJCKZHLHPD-RCTAOEEJSA-N
XLogP8.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.00
LogP ≤ 58.98
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-[(1R,2S,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenylcyclopentyl]prop-2-enyl-trimethylsilane?
The IUPAC name of 3-[(1R,2S,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenylcyclopentyl]prop-2-enyl-trimethylsilane (CID 57372727) is 3-[(1R,2S,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenylcyclopentyl]prop-2-enyl-trimethylsilane.
What is the SMILES notation for 3-[(1R,2S,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenylcyclopentyl]prop-2-enyl-trimethylsilane?
The canonical SMILES for 3-[(1R,2S,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenylcyclopentyl]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)(C)C)[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[(1R,2S,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenylcyclopentyl]prop-2-enyl-trimethylsilane?
The InChIKey is CORFZJCKZHLHPD-RCTAOEEJSA-N. The full InChI is InChI=1S/C27H56O2Si3/c1-15-22-19-23(17-16-18-30(8,9)10)25(21-29-32(13,14)27(5,6)7)24(22)20-28-31(11,12)26(2,3)4/h15-17,22-25H,1,18-21H2,2-14H3/t22-,23+,24-,25+/m1/s1.
What are the key properties of 3-[(1R,2S,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenylcyclopentyl]prop-2-enyl-trimethylsilane?
3-[(1R,2S,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenylcyclopentyl]prop-2-enyl-trimethylsilane has a molecular weight of 497.00 g/mol, XLogP of 8.98, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2S,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenylcyclopentyl]prop-2-enyl-trimethylsilane is sourced from PubChem (CID 57372727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).