[(1E)-1-[(2R,3R)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylcyclopentylidene]but-3-enyl]-trimethylsilane

C24H46OSi2 — CID 135031986

IUPAC[(1E)-1-[(2R,3R)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylcyclopentylidene]but-3-enyl]-trimethylsilane
SMILESC=CCC[C@@H]1/C(=C(\CC=C)[Si](C)(C)C)CC(C)(C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H46OSi2/c1-13-15-17-19-20(21(16-14-2)26(8,9)10)18-24(6,7)22(19)25-27(11,12)23(3,4)5/h13-14,19,22H,1-2,15-18H2,3-12H3/b21-20+/t19-,22-/m1/s1
InChIKeyKFGABXPQLVCOMT-JRXQXTMRSA-N
MW406.80 g/mol
LogP8.14
Rot. Bonds8

About [(1E)-1-[(2R,3R)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylcyclopentylidene]but-3-enyl]-trimethylsilane

[(1E)-1-[(2R,3R)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylcyclopentylidene]but-3-enyl]-trimethylsilane (PubChem CID 135031986) has the molecular formula C24H46OSi2 and a molecular weight of 406.80 g/mol. Its IUPAC name is [(1E)-1-[(2R,3R)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylcyclopentylidene]but-3-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(1E)-1-[(2R,3R)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylcyclopentylidene]but-3-enyl]-trimethylsilane
PubChem CID135031986
Molecular FormulaC24H46OSi2
Molecular Weight406.80 g/mol
Exact Mass406.31
IUPAC Name[(1E)-1-[(2R,3R)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylcyclopentylidene]but-3-enyl]-trimethylsilane
SMILESC=CCC[C@@H]1/C(=C(\CC=C)[Si](C)(C)C)CC(C)(C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H46OSi2/c1-13-15-17-19-20(21(16-14-2)26(8,9)10)18-24(6,7)22(19)25-27(11,12)23(3,4)5/h13-14,19,22H,1-2,15-18H2,3-12H3/b21-20+/t19-,22-/m1/s1
InChIKeyKFGABXPQLVCOMT-JRXQXTMRSA-N
XLogP8.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.80
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-dimethyl-[8,8,8-trifluoro-1-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)octan-3-yl]oxysilane
CID 19835839
2-[[(1S,7S,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-methyl-1,2,3,5,6,7-hexahydroinden-1-yl]oxy]ethyl-trimethylsilane
CID 11133057
[(2E,12R,13S)-13-bicyclo[10.2.1]pentadeca-1(15),2-dienyl]oxy-tert-butyl-dimethylsilane
CID 11302087
[(7S,7aS,7bR)-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[g]inden-7-yl]oxy-tert-butyl-dimethylsilane
CID 24755647
[(1S,3aR,5E,9aR)-1,8,8-trimethyl-3a-trimethylsilyloxy-2,3,4,7,9,9a-hexahydro-1H-cyclopenta[8]annulen-5-yl]methyl-trimethylsilane
CID 49818553
[(1S,2R,5S)-2-ethenyl-2-methyl-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane
CID 57326161
(3a,4-Dimethyl-1,2,3,6,7,7a-hexahydroinden-1-yl)oxy-tert-butyl-dimethylsilane
CID 75218881
trimethyl-[2-methyl-4-[(1R,2S,3S)-1-methyl-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]butan-2-yl]oxysilane
CID 101866138
[(2E)-13-bicyclo[10.2.1]pentadeca-1(15),2-dienyl]oxy-tert-butyl-dimethylsilane
CID 134982478
trimethyl-[2-methyl-4-[(1R,2R,3R)-1-methyl-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]butan-2-yl]oxysilane
CID 135020039
tert-butyl-dimethyl-[[(1R,2S,3S)-1-methyl-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]methoxy]silane
CID 135020040
tert-butyl-dimethyl-[[(1R,2R,3R)-1-methyl-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]methoxy]silane
CID 135020041

Frequently Asked Questions

What is the IUPAC name of [(1E)-1-[(2R,3R)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylcyclopentylidene]but-3-enyl]-trimethylsilane?
The IUPAC name of [(1E)-1-[(2R,3R)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylcyclopentylidene]but-3-enyl]-trimethylsilane (CID 135031986) is [(1E)-1-[(2R,3R)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylcyclopentylidene]but-3-enyl]-trimethylsilane.
What is the SMILES notation for [(1E)-1-[(2R,3R)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylcyclopentylidene]but-3-enyl]-trimethylsilane?
The canonical SMILES for [(1E)-1-[(2R,3R)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylcyclopentylidene]but-3-enyl]-trimethylsilane is C=CCC[C@@H]1/C(=C(\CC=C)[Si](C)(C)C)CC(C)(C)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1E)-1-[(2R,3R)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylcyclopentylidene]but-3-enyl]-trimethylsilane?
The InChIKey is KFGABXPQLVCOMT-JRXQXTMRSA-N. The full InChI is InChI=1S/C24H46OSi2/c1-13-15-17-19-20(21(16-14-2)26(8,9)10)18-24(6,7)22(19)25-27(11,12)23(3,4)5/h13-14,19,22H,1-2,15-18H2,3-12H3/b21-20+/t19-,22-/m1/s1.
What are the key properties of [(1E)-1-[(2R,3R)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylcyclopentylidene]but-3-enyl]-trimethylsilane?
[(1E)-1-[(2R,3R)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylcyclopentylidene]but-3-enyl]-trimethylsilane has a molecular weight of 406.80 g/mol, XLogP of 8.14, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-1-[(2R,3R)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylcyclopentylidene]but-3-enyl]-trimethylsilane is sourced from PubChem (CID 135031986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).