tert-butyl-[(Z)-5-[5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-[3-(trimethylsilylmethyl)but-3-en-1-ynyl]cyclohexen-1-yl]-3-methylpent-2-en-4-ynoxy]-dimethylsilane

C34H60O2Si3 — CID 11017362

IUPACtert-butyl-[(Z)-5-[5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-[3-(trimethylsilylmethyl)but-3-en-1-ynyl]cyclohexen-1-yl]-3-methylpent-2-en-4-ynoxy]-dimethylsilane
SMILESC=C(C#CC1(O[Si](C)(C)C(C)(C)C)CCC=C(C#C/C(C)=C\CO[Si](C)(C)C(C)(C)C)C1(C)C)C[Si](C)(C)C
InChIInChI=1S/C34H60O2Si3/c1-28(23-26-35-38(14,15)31(3,4)5)20-21-30-19-18-24-34(33(30,9)10,36-39(16,17)32(6,7)8)25-22-29(2)27-37(11,12)13/h19,23H,2,18,24,26-27H2,1,3-17H3/b28-23-
InChIKeyJLAHRMIERCQPJM-NFFVHWSESA-N
MW585.11 g/mol
LogP10.36
Rot. Bonds7

About tert-butyl-[(Z)-5-[5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-[3-(trimethylsilylmethyl)but-3-en-1-ynyl]cyclohexen-1-yl]-3-methylpent-2-en-4-ynoxy]-dimethylsilane

tert-butyl-[(Z)-5-[5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-[3-(trimethylsilylmethyl)but-3-en-1-ynyl]cyclohexen-1-yl]-3-methylpent-2-en-4-ynoxy]-dimethylsilane (PubChem CID 11017362) has the molecular formula C34H60O2Si3 and a molecular weight of 585.11 g/mol. Its IUPAC name is tert-butyl-[(Z)-5-[5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-[3-(trimethylsilylmethyl)but-3-en-1-ynyl]cyclohexen-1-yl]-3-methylpent-2-en-4-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z)-5-[5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-[3-(trimethylsilylmethyl)but-3-en-1-ynyl]cyclohexen-1-yl]-3-methylpent-2-en-4-ynoxy]-dimethylsilane
PubChem CID11017362
Molecular FormulaC34H60O2Si3
Molecular Weight585.11 g/mol
Exact Mass584.39
IUPAC Nametert-butyl-[(Z)-5-[5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-[3-(trimethylsilylmethyl)but-3-en-1-ynyl]cyclohexen-1-yl]-3-methylpent-2-en-4-ynoxy]-dimethylsilane
SMILESC=C(C#CC1(O[Si](C)(C)C(C)(C)C)CCC=C(C#C/C(C)=C\CO[Si](C)(C)C(C)(C)C)C1(C)C)C[Si](C)(C)C
InChIInChI=1S/C34H60O2Si3/c1-28(23-26-35-38(14,15)31(3,4)5)20-21-30-19-18-24-34(33(30,9)10,36-39(16,17)32(6,7)8)25-22-29(2)27-37(11,12)13/h19,23H,2,18,24,26-27H2,1,3-17H3/b28-23-
InChIKeyJLAHRMIERCQPJM-NFFVHWSESA-N
XLogP10.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.11
LogP ≤ 510.36
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

(Z)-5-[5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-[3-(trimethylsilylmethyl)but-3-en-1-ynyl]cyclohexen-1-yl]-3-methylpent-2-en-4-yn-1-ol
CID 10885190
[(Z)-5-[5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-[3-(trimethylsilylmethyl)but-3-en-1-ynyl]cyclohexen-1-yl]-3-methylpent-2-en-4-ynyl] acetate
CID 10952873
3-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-3-en-1-ynyl]-2,2-dimethyl-1-[3-(trimethylsilylmethyl)but-3-en-1-ynyl]cyclohex-3-en-1-ol
CID 11059756
tert-butyl-dimethyl-[[(7Z)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-7,11-dien-2,9-diynyl]oxy]silane;carbon monoxide;cobalt
CID 11125219
tert-butyl-dimethyl-[[(7Z)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-7,11-dien-2,9-diynyl]oxy]silane
CID 11125220
CID 135922762
CID 135922762
tert-butyl-dimethyl-[[(8Z)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-8,11-dien-2-ynyl]oxy]silane
CID 135922763
tert-butyl-dimethyl-[[(7E)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-7,11-dien-2,9-diynyl]oxy]silane;carbon monoxide;cobalt
CID 176516784
tert-butyl-dimethyl-[[(7E)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-7,11-dien-2,9-diynyl]oxy]silane
CID 176516785

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z)-5-[5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-[3-(trimethylsilylmethyl)but-3-en-1-ynyl]cyclohexen-1-yl]-3-methylpent-2-en-4-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(Z)-5-[5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-[3-(trimethylsilylmethyl)but-3-en-1-ynyl]cyclohexen-1-yl]-3-methylpent-2-en-4-ynoxy]-dimethylsilane (CID 11017362) is tert-butyl-[(Z)-5-[5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-[3-(trimethylsilylmethyl)but-3-en-1-ynyl]cyclohexen-1-yl]-3-methylpent-2-en-4-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z)-5-[5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-[3-(trimethylsilylmethyl)but-3-en-1-ynyl]cyclohexen-1-yl]-3-methylpent-2-en-4-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z)-5-[5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-[3-(trimethylsilylmethyl)but-3-en-1-ynyl]cyclohexen-1-yl]-3-methylpent-2-en-4-ynoxy]-dimethylsilane is C=C(C#CC1(O[Si](C)(C)C(C)(C)C)CCC=C(C#C/C(C)=C\CO[Si](C)(C)C(C)(C)C)C1(C)C)C[Si](C)(C)C.
What is the InChIKey of tert-butyl-[(Z)-5-[5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-[3-(trimethylsilylmethyl)but-3-en-1-ynyl]cyclohexen-1-yl]-3-methylpent-2-en-4-ynoxy]-dimethylsilane?
The InChIKey is JLAHRMIERCQPJM-NFFVHWSESA-N. The full InChI is InChI=1S/C34H60O2Si3/c1-28(23-26-35-38(14,15)31(3,4)5)20-21-30-19-18-24-34(33(30,9)10,36-39(16,17)32(6,7)8)25-22-29(2)27-37(11,12)13/h19,23H,2,18,24,26-27H2,1,3-17H3/b28-23-.
What are the key properties of tert-butyl-[(Z)-5-[5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-[3-(trimethylsilylmethyl)but-3-en-1-ynyl]cyclohexen-1-yl]-3-methylpent-2-en-4-ynoxy]-dimethylsilane?
tert-butyl-[(Z)-5-[5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-[3-(trimethylsilylmethyl)but-3-en-1-ynyl]cyclohexen-1-yl]-3-methylpent-2-en-4-ynoxy]-dimethylsilane has a molecular weight of 585.11 g/mol, XLogP of 10.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z)-5-[5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-[3-(trimethylsilylmethyl)but-3-en-1-ynyl]cyclohexen-1-yl]-3-methylpent-2-en-4-ynoxy]-dimethylsilane is sourced from PubChem (CID 11017362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).