(4S,5E)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctylidene]-4-[(Z)-7-hydroxyhept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctylidene]-4-prop-2-enylcyclopent-2-en-1-one;(Z)-dec-5-ene-1,10-diol;(Z)-oct-5-en-1-ol

C66H120O8Si2 — CID 161094886

IUPAC(4S,5E)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctylidene]-4-[(Z)-7-hydroxyhept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctylidene]-4-prop-2-enylcyclopent-2-en-1-one;(Z)-dec-5-ene-1,10-diol;(Z)-oct-5-en-1-ol
SMILESC=CC[C@H]1C=CC(=O)/C1=C/C[C@H](CCCCC)O[Si](C)(C)C(C)(C)C.CC/C=C\CCCCO.CCCCC[C@@H](C/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCCO)O[Si](C)(C)C(C)(C)C.OCCCC/C=C\CCCCO
InChIInChI=1S/C26H46O3Si.C22H38O2Si.C10H20O2.C8H16O/c1-7-8-12-16-23(29-30(5,6)26(2,3)4)18-19-24-22(17-20-25(24)28)15-13-10-9-11-14-21-27;1-8-10-11-13-19(24-25(6,7)22(3,4)5)15-16-20-18(12-9-2)14-17-21(20)23;11-9-7-5-3-1-2-4-6-8-10-12;1-2-3-4-5-6-7-8-9/h10,13,17,19-20,22-23,27H,7-9,11-12,14-16,18,21H2,1-6H3;9,14,16-19H,2,8,10-13,15H2,1,3-7H3;1-2,11-12H,3-10H2;3-4,9H,2,5-8H2,1H3/b13-10-,24-19+;20-16+;2-1-;4-3-/t22-,23-;18-,19-;;/m00../s1
InChIKeyUHQVYOMVXOYKBG-HFUFSKGFSA-N
MW1097.85 g/mol
LogP17.73
Rot. Bonds37

About (4S,5E)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctylidene]-4-[(Z)-7-hydroxyhept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctylidene]-4-prop-2-enylcyclopent-2-en-1-one;(Z)-dec-5-ene-1,10-diol;(Z)-oct-5-en-1-ol

(4S,5E)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctylidene]-4-[(Z)-7-hydroxyhept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctylidene]-4-prop-2-enylcyclopent-2-en-1-one;(Z)-dec-5-ene-1,10-diol;(Z)-oct-5-en-1-ol (PubChem CID 161094886) has the molecular formula C66H120O8Si2 and a molecular weight of 1097.85 g/mol. Its IUPAC name is (4S,5E)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctylidene]-4-[(Z)-7-hydroxyhept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctylidene]-4-prop-2-enylcyclopent-2-en-1-one;(Z)-dec-5-ene-1,10-diol;(Z)-oct-5-en-1-ol.

Molecular Properties

Compound Name(4S,5E)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctylidene]-4-[(Z)-7-hydroxyhept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctylidene]-4-prop-2-enylcyclopent-2-en-1-one;(Z)-dec-5-ene-1,10-diol;(Z)-oct-5-en-1-ol
PubChem CID161094886
Molecular FormulaC66H120O8Si2
Molecular Weight1097.85 g/mol
Exact Mass1096.85
IUPAC Name(4S,5E)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctylidene]-4-[(Z)-7-hydroxyhept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctylidene]-4-prop-2-enylcyclopent-2-en-1-one;(Z)-dec-5-ene-1,10-diol;(Z)-oct-5-en-1-ol
SMILESC=CC[C@H]1C=CC(=O)/C1=C/C[C@H](CCCCC)O[Si](C)(C)C(C)(C)C.CC/C=C\CCCCO.CCCCC[C@@H](C/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCCO)O[Si](C)(C)C(C)(C)C.OCCCC/C=C\CCCCO
InChIInChI=1S/C26H46O3Si.C22H38O2Si.C10H20O2.C8H16O/c1-7-8-12-16-23(29-30(5,6)26(2,3)4)18-19-24-22(17-20-25(24)28)15-13-10-9-11-14-21-27;1-8-10-11-13-19(24-25(6,7)22(3,4)5)15-16-20-18(12-9-2)14-17-21(20)23;11-9-7-5-3-1-2-4-6-8-10-12;1-2-3-4-5-6-7-8-9/h10,13,17,19-20,22-23,27H,7-9,11-12,14-16,18,21H2,1-6H3;9,14,16-19H,2,8,10-13,15H2,1,3-7H3;1-2,11-12H,3-10H2;3-4,9H,2,5-8H2,1H3/b13-10-,24-19+;20-16+;2-1-;4-3-/t22-,23-;18-,19-;;/m00../s1
InChIKeyUHQVYOMVXOYKBG-HFUFSKGFSA-N
XLogP17.73
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds37
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001097.85
LogP ≤ 517.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4S,5E)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctylidene]-4-[(Z)-7-hydroxyhept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctylidene]-4-prop-2-enylcyclopent-2-en-1-one;(Z)-dec-5-ene-1,10-diol;(Z)-oct-5-en-1-ol with MolForge

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Related Compounds

(4S,5E)-5-[(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-5-enylidene]-4-[(Z)-7-hydroxyhept-2-enyl]cyclopent-2-en-1-one
CID 138963804
(4S,5E)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctylidene]-4-prop-2-enylcyclopent-2-en-1-one
CID 138976506
(3Z,5S,6S,7S,8Z,15S,16Z)-6,12-bis[[tert-butyl(dimethyl)silyl]oxy]-1-cyclopentyl-14-hydroxy-5,7,9,11,13,15-hexamethylnonadeca-3,8,16,18-tetraen-2-one
CID 58822531
(3Z,5S,6S,7S,8Z,11 S,12R,13R,14S,15S,16Z)-1-cyclopentyl-6,12-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-14-hydroxy-5,7,9,11,13,15-hexamethyl-3,8,16,18-nonadecatetraen-2-one
CID 86596749
(5S,6S,7S,11S,12R,13R,14S,15S)-6,12-bis[[tert-butyl(dimethyl)silyl]oxy]-1-cyclopentyl-14-hydroxy-5,7,9,11,13,15-hexamethylnonadeca-3,8,16,18-tetraen-2-one
CID 90685144
(4S,5E)-5-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyoct-5-ynylidene]-4-[(Z)-7-hydroxyhept-2-enyl]cyclopent-2-en-1-one
CID 140749945
(4S,5E)-5-[(3S,5Z,8Z)-3-[tert-butyl(dimethyl)silyl]oxyundeca-5,8-dienylidene]-4-[(Z)-6-hydroxyhex-2-enyl]cyclopent-2-en-1-one
CID 140749947
(Z)-7-[(1S,5E)-5-[(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid
CID 140749974
(5Z)-5-butan-2-ylidene-4-hydroxycyclopent-2-en-1-one;5-but-1-en-2-yl-4-hydroxycyclopent-2-en-1-one;4-[tert-butyl(dimethyl)silyl]oxy-5-nonan-2-ylidenecyclopent-2-en-1-one
CID 157145913
tert-butyl-[(Z,3S)-2,2-dimethyloct-5-en-3-yl]oxy-dimethylsilane;(4S,5E)-5-ethylidene-4-[(Z)-7-hydroxyhept-2-enyl]cyclopent-2-en-1-one
CID 157269136
(3aE,6S,8Z)-6-[tert-butyl(dimethyl)silyl]oxy-6,7,10,10a-tetrahydro-5H-cyclopenta[9]annulen-3-one;(4S,5E)-5-[(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-5-enylidene]-4-[(Z)-7-hydroxyhept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctylidene]-4-prop-2-enylcyclopent-2-en-1-one;(Z)-dec-5-ene-1,10-diol;(Z)-oct-5-en-1-ol
CID 158918802
(4S,5E)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctylidene]-4-[(Z)-7-hydroxyhept-2-enyl]cyclopent-2-en-1-one
CID 159351008

Frequently Asked Questions

What is the IUPAC name of (4S,5E)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctylidene]-4-[(Z)-7-hydroxyhept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctylidene]-4-prop-2-enylcyclopent-2-en-1-one;(Z)-dec-5-ene-1,10-diol;(Z)-oct-5-en-1-ol?
The IUPAC name of (4S,5E)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctylidene]-4-[(Z)-7-hydroxyhept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctylidene]-4-prop-2-enylcyclopent-2-en-1-one;(Z)-dec-5-ene-1,10-diol;(Z)-oct-5-en-1-ol (CID 161094886) is (4S,5E)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctylidene]-4-[(Z)-7-hydroxyhept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctylidene]-4-prop-2-enylcyclopent-2-en-1-one;(Z)-dec-5-ene-1,10-diol;(Z)-oct-5-en-1-ol.
What is the SMILES notation for (4S,5E)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctylidene]-4-[(Z)-7-hydroxyhept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctylidene]-4-prop-2-enylcyclopent-2-en-1-one;(Z)-dec-5-ene-1,10-diol;(Z)-oct-5-en-1-ol?
The canonical SMILES for (4S,5E)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctylidene]-4-[(Z)-7-hydroxyhept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctylidene]-4-prop-2-enylcyclopent-2-en-1-one;(Z)-dec-5-ene-1,10-diol;(Z)-oct-5-en-1-ol is C=CC[C@H]1C=CC(=O)/C1=C/C[C@H](CCCCC)O[Si](C)(C)C(C)(C)C.CC/C=C\CCCCO.CCCCC[C@@H](C/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCCO)O[Si](C)(C)C(C)(C)C.OCCCC/C=C\CCCCO.
What is the InChIKey of (4S,5E)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctylidene]-4-[(Z)-7-hydroxyhept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctylidene]-4-prop-2-enylcyclopent-2-en-1-one;(Z)-dec-5-ene-1,10-diol;(Z)-oct-5-en-1-ol?
The InChIKey is UHQVYOMVXOYKBG-HFUFSKGFSA-N. The full InChI is InChI=1S/C26H46O3Si.C22H38O2Si.C10H20O2.C8H16O/c1-7-8-12-16-23(29-30(5,6)26(2,3)4)18-19-24-22(17-20-25(24)28)15-13-10-9-11-14-21-27;1-8-10-11-13-19(24-25(6,7)22(3,4)5)15-16-20-18(12-9-2)14-17-21(20)23;11-9-7-5-3-1-2-4-6-8-10-12;1-2-3-4-5-6-7-8-9/h10,13,17,19-20,22-23,27H,7-9,11-12,14-16,18,21H2,1-6H3;9,14,16-19H,2,8,10-13,15H2,1,3-7H3;1-2,11-12H,3-10H2;3-4,9H,2,5-8H2,1H3/b13-10-,24-19+;20-16+;2-1-;4-3-/t22-,23-;18-,19-;;/m00../s1.
What are the key properties of (4S,5E)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctylidene]-4-[(Z)-7-hydroxyhept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctylidene]-4-prop-2-enylcyclopent-2-en-1-one;(Z)-dec-5-ene-1,10-diol;(Z)-oct-5-en-1-ol?
(4S,5E)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctylidene]-4-[(Z)-7-hydroxyhept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctylidene]-4-prop-2-enylcyclopent-2-en-1-one;(Z)-dec-5-ene-1,10-diol;(Z)-oct-5-en-1-ol has a molecular weight of 1097.85 g/mol, XLogP of 17.73, 37 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5E)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctylidene]-4-[(Z)-7-hydroxyhept-2-enyl]cyclopent-2-en-1-one;(4S,5E)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctylidene]-4-prop-2-enylcyclopent-2-en-1-one;(Z)-dec-5-ene-1,10-diol;(Z)-oct-5-en-1-ol is sourced from PubChem (CID 161094886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).