tert-butyl-[4-[2-(methoxymethoxy)ethyl]-2-methyl-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane

C20H36O3Si — CID 10871891

IUPACtert-butyl-[4-[2-(methoxymethoxy)ethyl]-2-methyl-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane
SMILESC=CCC1(CCOCOC)C=CC(O[Si](C)(C)C(C)(C)C)=C(C)C1
InChIInChI=1S/C20H36O3Si/c1-9-11-20(13-14-22-16-21-6)12-10-18(17(2)15-20)23-24(7,8)19(3,4)5/h9-10,12H,1,11,13-16H2,2-8H3
InChIKeyITCTUFSTNCXIBA-UHFFFAOYSA-N
MW352.59 g/mol
LogP5.82
Rot. Bonds9

About tert-butyl-[4-[2-(methoxymethoxy)ethyl]-2-methyl-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane

tert-butyl-[4-[2-(methoxymethoxy)ethyl]-2-methyl-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane (PubChem CID 10871891) has the molecular formula C20H36O3Si and a molecular weight of 352.59 g/mol. Its IUPAC name is tert-butyl-[4-[2-(methoxymethoxy)ethyl]-2-methyl-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-[2-(methoxymethoxy)ethyl]-2-methyl-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane
PubChem CID10871891
Molecular FormulaC20H36O3Si
Molecular Weight352.59 g/mol
Exact Mass352.24
IUPAC Nametert-butyl-[4-[2-(methoxymethoxy)ethyl]-2-methyl-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane
SMILESC=CCC1(CCOCOC)C=CC(O[Si](C)(C)C(C)(C)C)=C(C)C1
InChIInChI=1S/C20H36O3Si/c1-9-11-20(13-14-22-16-21-6)12-10-18(17(2)15-20)23-24(7,8)19(3,4)5/h9-10,12H,1,11,13-16H2,2-8H3
InChIKeyITCTUFSTNCXIBA-UHFFFAOYSA-N
XLogP5.82
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.59
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Tert-butyl-[4-[2-(methoxymethoxy)ethyl]-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane
CID 10893131
triethyl-[[(11S)-3,3,8,10-tetramethyl-11-[(E)-pent-3-en-2-yl]-2,4-dioxaspiro[5.5]undeca-7,9-dien-9-yl]oxy]silane
CID 134945438
triethyl-[[(11S)-3,3,8,10-tetramethyl-11-pent-3-en-2-yl-2,4-dioxaspiro[5.5]undeca-7,9-dien-9-yl]oxy]silane
CID 135028286
tert-butyl-[[(1Z)-1-[4-(methoxymethoxy)butan-2-ylidene]-7a-methyl-3,7-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane
CID 139968512
tert-butyl-[[(1Z)-1-[4-(methoxymethoxy)butan-2-ylidene]-7a-methyl-6,7-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane
CID 139968525
Tert-butyl-[4-(methoxymethoxymethyl)-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane
CID 11023800
Tert-butyl-[2-methoxy-4-[2-(methoxymethoxy)ethyl]-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane
CID 11057696
Tert-butyl-[4-(methoxymethoxymethyl)-2-methyl-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane
CID 11759561
Tert-butyl-[4-[2-(methoxymethoxy)ethyl]-2,4-bis(prop-2-enyl)cyclohexa-1,5-dien-1-yl]oxy-dimethylsilane
CID 11810971

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-[2-(methoxymethoxy)ethyl]-2-methyl-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[4-[2-(methoxymethoxy)ethyl]-2-methyl-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane (CID 10871891) is tert-butyl-[4-[2-(methoxymethoxy)ethyl]-2-methyl-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-[2-(methoxymethoxy)ethyl]-2-methyl-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[4-[2-(methoxymethoxy)ethyl]-2-methyl-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane is C=CCC1(CCOCOC)C=CC(O[Si](C)(C)C(C)(C)C)=C(C)C1.
What is the InChIKey of tert-butyl-[4-[2-(methoxymethoxy)ethyl]-2-methyl-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane?
The InChIKey is ITCTUFSTNCXIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O3Si/c1-9-11-20(13-14-22-16-21-6)12-10-18(17(2)15-20)23-24(7,8)19(3,4)5/h9-10,12H,1,11,13-16H2,2-8H3.
What are the key properties of tert-butyl-[4-[2-(methoxymethoxy)ethyl]-2-methyl-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane?
tert-butyl-[4-[2-(methoxymethoxy)ethyl]-2-methyl-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane has a molecular weight of 352.59 g/mol, XLogP of 5.82, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-[2-(methoxymethoxy)ethyl]-2-methyl-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 10871891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).