tert-butyl-dimethyl-[(E)-non-6-enoxy]silane;6-[tert-butyl(dimethyl)silyl]oxyhexanal;tert-butyl(trimethyl)silane;[(E)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)oct-6-enyl] 2,2-dimethylpropanoate;ethene;hexane-1,6-diol;bis([(E)-non-6-enyl] 2,2-dimethylpropanoate)

C91H175ClO14Si3 — CID 158880632

IUPACtert-butyl-dimethyl-[(E)-non-6-enoxy]silane;6-[tert-butyl(dimethyl)silyl]oxyhexanal;tert-butyl(trimethyl)silane;[(E)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)oct-6-enyl] 2,2-dimethylpropanoate;ethene;hexane-1,6-diol;bis([(E)-non-6-enyl] 2,2-dimethylpropanoate)
SMILESC=C.CC(C)(C)[Si](C)(C)C.CC(C)(C)[Si](C)(C)OCCCCCC=O.CC/C=C/CCCCCOC(=O)C(C)(C)C.CC/C=C/CCCCCOC(=O)C(C)(C)C.CC/C=C/CCCCCO[Si](C)(C)C(C)(C)C.Cc1c(Cl)c(O)c(C/C=C/CCCCCOC(=O)C(C)(C)C)c(O)c1C=O.OCCCCCCO
InChIInChI=1S/C21H29ClO5.C15H32OSi.2C14H26O2.C12H26O2Si.C7H18Si.C6H14O2.C2H4/c1-14-16(13-23)18(24)15(19(25)17(14)22)11-9-7-5-6-8-10-12-27-20(26)21(2,3)4;1-7-8-9-10-11-12-13-14-16-17(5,6)15(2,3)4;2*1-5-6-7-8-9-10-11-12-16-13(15)14(2,3)4;1-12(2,3)15(4,5)14-11-9-7-6-8-10-13;1-7(2,3)8(4,5)6;7-5-3-1-2-4-6-8;1-2/h7,9,13,24-25H,5-6,8,10-12H2,1-4H3;8-9H,7,10-14H2,1-6H3;2*6-7H,5,8-12H2,1-4H3;10H,6-9,11H2,1-5H3;1-6H3;7-8H,1-6H2;1-2H2/b9-7+;9-8+;2*7-6+;;;;
InChIKeyJCZGLUYTLVKIES-LLFMUJJOSA-N
MW1613.10 g/mol
LogP27.09
Rot. Bonds43

About tert-butyl-dimethyl-[(E)-non-6-enoxy]silane;6-[tert-butyl(dimethyl)silyl]oxyhexanal;tert-butyl(trimethyl)silane;[(E)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)oct-6-enyl] 2,2-dimethylpropanoate;ethene;hexane-1,6-diol;bis([(E)-non-6-enyl] 2,2-dimethylpropanoate)

tert-butyl-dimethyl-[(E)-non-6-enoxy]silane;6-[tert-butyl(dimethyl)silyl]oxyhexanal;tert-butyl(trimethyl)silane;[(E)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)oct-6-enyl] 2,2-dimethylpropanoate;ethene;hexane-1,6-diol;bis([(E)-non-6-enyl] 2,2-dimethylpropanoate) (PubChem CID 158880632) has the molecular formula C91H175ClO14Si3 and a molecular weight of 1613.10 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-non-6-enoxy]silane;6-[tert-butyl(dimethyl)silyl]oxyhexanal;tert-butyl(trimethyl)silane;[(E)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)oct-6-enyl] 2,2-dimethylpropanoate;ethene;hexane-1,6-diol;bis([(E)-non-6-enyl] 2,2-dimethylpropanoate).

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-non-6-enoxy]silane;6-[tert-butyl(dimethyl)silyl]oxyhexanal;tert-butyl(trimethyl)silane;[(E)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)oct-6-enyl] 2,2-dimethylpropanoate;ethene;hexane-1,6-diol;bis([(E)-non-6-enyl] 2,2-dimethylpropanoate)
PubChem CID158880632
Molecular FormulaC91H175ClO14Si3
Molecular Weight1613.10 g/mol
Exact Mass1611.20
IUPAC Nametert-butyl-dimethyl-[(E)-non-6-enoxy]silane;6-[tert-butyl(dimethyl)silyl]oxyhexanal;tert-butyl(trimethyl)silane;[(E)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)oct-6-enyl] 2,2-dimethylpropanoate;ethene;hexane-1,6-diol;bis([(E)-non-6-enyl] 2,2-dimethylpropanoate)
SMILESC=C.CC(C)(C)[Si](C)(C)C.CC(C)(C)[Si](C)(C)OCCCCCC=O.CC/C=C/CCCCCOC(=O)C(C)(C)C.CC/C=C/CCCCCOC(=O)C(C)(C)C.CC/C=C/CCCCCO[Si](C)(C)C(C)(C)C.Cc1c(Cl)c(O)c(C/C=C/CCCCCOC(=O)C(C)(C)C)c(O)c1C=O.OCCCCCCO
InChIInChI=1S/C21H29ClO5.C15H32OSi.2C14H26O2.C12H26O2Si.C7H18Si.C6H14O2.C2H4/c1-14-16(13-23)18(24)15(19(25)17(14)22)11-9-7-5-6-8-10-12-27-20(26)21(2,3)4;1-7-8-9-10-11-12-13-14-16-17(5,6)15(2,3)4;2*1-5-6-7-8-9-10-11-12-16-13(15)14(2,3)4;1-12(2,3)15(4,5)14-11-9-7-6-8-10-13;1-7(2,3)8(4,5)6;7-5-3-1-2-4-6-8;1-2/h7,9,13,24-25H,5-6,8,10-12H2,1-4H3;8-9H,7,10-14H2,1-6H3;2*6-7H,5,8-12H2,1-4H3;10H,6-9,11H2,1-5H3;1-6H3;7-8H,1-6H2;1-2H2/b9-7+;9-8+;2*7-6+;;;;
InChIKeyJCZGLUYTLVKIES-LLFMUJJOSA-N
XLogP27.09
TPSA212.42 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds43
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001613.10
LogP ≤ 527.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl-dimethyl-[(E)-non-6-enoxy]silane;6-[tert-butyl(dimethyl)silyl]oxyhexanal;tert-butyl(trimethyl)silane;[(E)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)oct-6-enyl] 2,2-dimethylpropanoate;ethene;hexane-1,6-diol;bis([(E)-non-6-enyl] 2,2-dimethylpropanoate) with MolForge

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Related Compounds

[(E)-7-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-5-methylhept-5-enyl] 2,2-dimethylpropanoate
CID 86701339
tert-butyl-dimethyl-[(Z)-non-6-enoxy]silane
CID 59602006
(5E,7E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-5,7-dienal
CID 10543017
[(5E,8E,11E,14Z,17E)-icosa-5,8,11,14,17-pentaenyl] 2,2-dimethylpropanoate
CID 25157608
9-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)nonyl 2-methylpropanoate
CID 87428401
8-[tert-butyl(dimethyl)silyl]oxyoctan-1-ol
CID 11043515
22-[tert-butyl(dimethyl)silyl]oxydocosan-1-ol
CID 15229755
5-chloro-3-[(1E,8E)-11,11-dimethyl-10-oxododeca-1,8-dienyl]-2,4-dihydroxy-6-methylbenzaldehyde
CID 88557346
17-bromoheptadec-5-enyl 2,2-dimethylpropanoate
CID 71425988
tert-butyl-dimethyl-[(Z)-tetracos-15-enoxy]silane
CID 6430267
tert-butyl-[(Z)-icos-5-enoxy]-dimethylsilane
CID 6430269
acetic acid;6-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol
CID 71376160

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E)-non-6-enoxy]silane;6-[tert-butyl(dimethyl)silyl]oxyhexanal;tert-butyl(trimethyl)silane;[(E)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)oct-6-enyl] 2,2-dimethylpropanoate;ethene;hexane-1,6-diol;bis([(E)-non-6-enyl] 2,2-dimethylpropanoate)?
The IUPAC name of tert-butyl-dimethyl-[(E)-non-6-enoxy]silane;6-[tert-butyl(dimethyl)silyl]oxyhexanal;tert-butyl(trimethyl)silane;[(E)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)oct-6-enyl] 2,2-dimethylpropanoate;ethene;hexane-1,6-diol;bis([(E)-non-6-enyl] 2,2-dimethylpropanoate) (CID 158880632) is tert-butyl-dimethyl-[(E)-non-6-enoxy]silane;6-[tert-butyl(dimethyl)silyl]oxyhexanal;tert-butyl(trimethyl)silane;[(E)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)oct-6-enyl] 2,2-dimethylpropanoate;ethene;hexane-1,6-diol;bis([(E)-non-6-enyl] 2,2-dimethylpropanoate).
What is the SMILES notation for tert-butyl-dimethyl-[(E)-non-6-enoxy]silane;6-[tert-butyl(dimethyl)silyl]oxyhexanal;tert-butyl(trimethyl)silane;[(E)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)oct-6-enyl] 2,2-dimethylpropanoate;ethene;hexane-1,6-diol;bis([(E)-non-6-enyl] 2,2-dimethylpropanoate)?
The canonical SMILES for tert-butyl-dimethyl-[(E)-non-6-enoxy]silane;6-[tert-butyl(dimethyl)silyl]oxyhexanal;tert-butyl(trimethyl)silane;[(E)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)oct-6-enyl] 2,2-dimethylpropanoate;ethene;hexane-1,6-diol;bis([(E)-non-6-enyl] 2,2-dimethylpropanoate) is C=C.CC(C)(C)[Si](C)(C)C.CC(C)(C)[Si](C)(C)OCCCCCC=O.CC/C=C/CCCCCOC(=O)C(C)(C)C.CC/C=C/CCCCCOC(=O)C(C)(C)C.CC/C=C/CCCCCO[Si](C)(C)C(C)(C)C.Cc1c(Cl)c(O)c(C/C=C/CCCCCOC(=O)C(C)(C)C)c(O)c1C=O.OCCCCCCO.
What is the InChIKey of tert-butyl-dimethyl-[(E)-non-6-enoxy]silane;6-[tert-butyl(dimethyl)silyl]oxyhexanal;tert-butyl(trimethyl)silane;[(E)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)oct-6-enyl] 2,2-dimethylpropanoate;ethene;hexane-1,6-diol;bis([(E)-non-6-enyl] 2,2-dimethylpropanoate)?
The InChIKey is JCZGLUYTLVKIES-LLFMUJJOSA-N. The full InChI is InChI=1S/C21H29ClO5.C15H32OSi.2C14H26O2.C12H26O2Si.C7H18Si.C6H14O2.C2H4/c1-14-16(13-23)18(24)15(19(25)17(14)22)11-9-7-5-6-8-10-12-27-20(26)21(2,3)4;1-7-8-9-10-11-12-13-14-16-17(5,6)15(2,3)4;2*1-5-6-7-8-9-10-11-12-16-13(15)14(2,3)4;1-12(2,3)15(4,5)14-11-9-7-6-8-10-13;1-7(2,3)8(4,5)6;7-5-3-1-2-4-6-8;1-2/h7,9,13,24-25H,5-6,8,10-12H2,1-4H3;8-9H,7,10-14H2,1-6H3;2*6-7H,5,8-12H2,1-4H3;10H,6-9,11H2,1-5H3;1-6H3;7-8H,1-6H2;1-2H2/b9-7+;9-8+;2*7-6+;;;;.
What are the key properties of tert-butyl-dimethyl-[(E)-non-6-enoxy]silane;6-[tert-butyl(dimethyl)silyl]oxyhexanal;tert-butyl(trimethyl)silane;[(E)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)oct-6-enyl] 2,2-dimethylpropanoate;ethene;hexane-1,6-diol;bis([(E)-non-6-enyl] 2,2-dimethylpropanoate)?
tert-butyl-dimethyl-[(E)-non-6-enoxy]silane;6-[tert-butyl(dimethyl)silyl]oxyhexanal;tert-butyl(trimethyl)silane;[(E)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)oct-6-enyl] 2,2-dimethylpropanoate;ethene;hexane-1,6-diol;bis([(E)-non-6-enyl] 2,2-dimethylpropanoate) has a molecular weight of 1613.10 g/mol, XLogP of 27.09, 43 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E)-non-6-enoxy]silane;6-[tert-butyl(dimethyl)silyl]oxyhexanal;tert-butyl(trimethyl)silane;[(E)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)oct-6-enyl] 2,2-dimethylpropanoate;ethene;hexane-1,6-diol;bis([(E)-non-6-enyl] 2,2-dimethylpropanoate) is sourced from PubChem (CID 158880632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).