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

C27H56O2Si3 — CID 11386419

IUPAC[(E)-3-[(1S,2R,3S,4R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenylcyclopentyl]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)(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/b17-16+/t22-,23+,24-,25+/m0/s1
InChIKeyCORFZJCKZHLHPD-NYTXSVKZSA-N
MW497.00 g/mol
LogP8.98
Rot. Bonds10

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

[(E)-3-[(1S,2R,3S,4R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenylcyclopentyl]prop-2-enyl]-trimethylsilane (PubChem CID 11386419) has the molecular formula C27H56O2Si3 and a molecular weight of 497.00 g/mol. Its IUPAC name is [(E)-3-[(1S,2R,3S,4R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenylcyclopentyl]prop-2-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-3-[(1S,2R,3S,4R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenylcyclopentyl]prop-2-enyl]-trimethylsilane
PubChem CID11386419
Molecular FormulaC27H56O2Si3
Molecular Weight497.00 g/mol
Exact Mass496.36
IUPAC Name[(E)-3-[(1S,2R,3S,4R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenylcyclopentyl]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)(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/b17-16+/t22-,23+,24-,25+/m0/s1
InChIKeyCORFZJCKZHLHPD-NYTXSVKZSA-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 [(E)-3-[(1S,2R,3S,4R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenylcyclopentyl]prop-2-enyl]-trimethylsilane?
The IUPAC name of [(E)-3-[(1S,2R,3S,4R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenylcyclopentyl]prop-2-enyl]-trimethylsilane (CID 11386419) is [(E)-3-[(1S,2R,3S,4R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenylcyclopentyl]prop-2-enyl]-trimethylsilane.
What is the SMILES notation for [(E)-3-[(1S,2R,3S,4R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenylcyclopentyl]prop-2-enyl]-trimethylsilane?
The canonical SMILES for [(E)-3-[(1S,2R,3S,4R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenylcyclopentyl]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)(C)C)[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(E)-3-[(1S,2R,3S,4R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenylcyclopentyl]prop-2-enyl]-trimethylsilane?
The InChIKey is CORFZJCKZHLHPD-NYTXSVKZSA-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/b17-16+/t22-,23+,24-,25+/m0/s1.
What are the key properties of [(E)-3-[(1S,2R,3S,4R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenylcyclopentyl]prop-2-enyl]-trimethylsilane?
[(E)-3-[(1S,2R,3S,4R)-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 [(E)-3-[(1S,2R,3S,4R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenylcyclopentyl]prop-2-enyl]-trimethylsilane is sourced from PubChem (CID 11386419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).