2-[(3R,4R,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-prop-2-ynylidenecyclopenten-1-yl]ethynyl-trimethylsilane

C25H44O2Si3 — CID 11496309

IUPAC2-[(3R,4R,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-prop-2-ynylidenecyclopenten-1-yl]ethynyl-trimethylsilane
SMILESC#C/C=C1\C(C#C[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H44O2Si3/c1-15-16-21-20(17-18-28(8,9)10)19-22(26-29(11,12)24(2,3)4)23(21)27-30(13,14)25(5,6)7/h1,16,19,22-23H,2-14H3/b21-16+/t22-,23-/m1/s1
InChIKeyWSHZMTPPEZCZKP-PWECSXFSSA-N
MW460.88 g/mol
LogP7.15
Rot. Bonds4

About 2-[(3R,4R,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-prop-2-ynylidenecyclopenten-1-yl]ethynyl-trimethylsilane

2-[(3R,4R,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-prop-2-ynylidenecyclopenten-1-yl]ethynyl-trimethylsilane (PubChem CID 11496309) has the molecular formula C25H44O2Si3 and a molecular weight of 460.88 g/mol. Its IUPAC name is 2-[(3R,4R,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-prop-2-ynylidenecyclopenten-1-yl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[(3R,4R,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-prop-2-ynylidenecyclopenten-1-yl]ethynyl-trimethylsilane
PubChem CID11496309
Molecular FormulaC25H44O2Si3
Molecular Weight460.88 g/mol
Exact Mass460.26
IUPAC Name2-[(3R,4R,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-prop-2-ynylidenecyclopenten-1-yl]ethynyl-trimethylsilane
SMILESC#C/C=C1\C(C#C[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H44O2Si3/c1-15-16-21-20(17-18-28(8,9)10)19-22(26-29(11,12)24(2,3)4)23(21)27-30(13,14)25(5,6)7/h1,16,19,22-23H,2-14H3/b21-16+/t22-,23-/m1/s1
InChIKeyWSHZMTPPEZCZKP-PWECSXFSSA-N
XLogP7.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.88
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(4E)-3-ethenyl-4-hexylidenecyclopent-2-en-1-yl]oxy-dimethylsilane
CID 134982967
tert-butyl-[(1R,2Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloro-2-prop-2-ynylidenecyclopent-3-en-1-yl]oxy-dimethylsilane
CID 11589381
(S)-2-methyl-4-methylidene-3-(2-propynyl)-1-tert-butyldimethylsilyloxycyclopent-2-ene
CID 11821434
Tert-butyl-dimethyl-(2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl)oxysilane
CID 19428647
(2-Methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl)oxy-tri(propan-2-yl)silane
CID 19428650
Triethyl-(2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl)oxysilane
CID 19428651
triethyl-[(1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxysilane
CID 53803281
[(1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane
CID 54065121
7,8-Bis[[tert-butyl(dimethyl)silyl]oxy]trideca-3,5-dien-1-ynyl-trimethylsilane
CID 54406114
(RS)-3-(3-trimethylsilyl-2-propynyl)-3-cyclopenten-1-yl (t-butyldimethylsilyl) ether
CID 57131418
[(4E,6Z,8R,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]tetradeca-4,6-dien-1-ynyl]-trimethylsilane
CID 57931533
[(3E,5Z,7S,8S)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]trideca-3,5-dien-1-ynyl]-trimethylsilane
CID 58982217

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-prop-2-ynylidenecyclopenten-1-yl]ethynyl-trimethylsilane?
The IUPAC name of 2-[(3R,4R,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-prop-2-ynylidenecyclopenten-1-yl]ethynyl-trimethylsilane (CID 11496309) is 2-[(3R,4R,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-prop-2-ynylidenecyclopenten-1-yl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[(3R,4R,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-prop-2-ynylidenecyclopenten-1-yl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[(3R,4R,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-prop-2-ynylidenecyclopenten-1-yl]ethynyl-trimethylsilane is C#C/C=C1\C(C#C[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[(3R,4R,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-prop-2-ynylidenecyclopenten-1-yl]ethynyl-trimethylsilane?
The InChIKey is WSHZMTPPEZCZKP-PWECSXFSSA-N. The full InChI is InChI=1S/C25H44O2Si3/c1-15-16-21-20(17-18-28(8,9)10)19-22(26-29(11,12)24(2,3)4)23(21)27-30(13,14)25(5,6)7/h1,16,19,22-23H,2-14H3/b21-16+/t22-,23-/m1/s1.
What are the key properties of 2-[(3R,4R,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-prop-2-ynylidenecyclopenten-1-yl]ethynyl-trimethylsilane?
2-[(3R,4R,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-prop-2-ynylidenecyclopenten-1-yl]ethynyl-trimethylsilane has a molecular weight of 460.88 g/mol, XLogP of 7.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-prop-2-ynylidenecyclopenten-1-yl]ethynyl-trimethylsilane is sourced from PubChem (CID 11496309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).