tert-butyl-[(1R,2R,3E,6S)-3-ethylidene-2-methoxy-6-(methoxymethoxy)cyclohexyl]oxy-dimethylsilane

C17H34O4Si — CID 134837047

IUPACtert-butyl-[(1R,2R,3E,6S)-3-ethylidene-2-methoxy-6-(methoxymethoxy)cyclohexyl]oxy-dimethylsilane
SMILESC/C=C1\CC[C@H](OCOC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC
InChIInChI=1S/C17H34O4Si/c1-9-13-10-11-14(20-12-18-5)16(15(13)19-6)21-22(7,8)17(2,3)4/h9,14-16H,10-12H2,1-8H3/b13-9+/t14-,15+,16+/m0/s1
InChIKeyJGWIZSQAUMBXAD-FYBISIHISA-N
MW330.54 g/mol
LogP4.12
Rot. Bonds6

About tert-butyl-[(1R,2R,3E,6S)-3-ethylidene-2-methoxy-6-(methoxymethoxy)cyclohexyl]oxy-dimethylsilane

tert-butyl-[(1R,2R,3E,6S)-3-ethylidene-2-methoxy-6-(methoxymethoxy)cyclohexyl]oxy-dimethylsilane (PubChem CID 134837047) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is tert-butyl-[(1R,2R,3E,6S)-3-ethylidene-2-methoxy-6-(methoxymethoxy)cyclohexyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,2R,3E,6S)-3-ethylidene-2-methoxy-6-(methoxymethoxy)cyclohexyl]oxy-dimethylsilane
PubChem CID134837047
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Nametert-butyl-[(1R,2R,3E,6S)-3-ethylidene-2-methoxy-6-(methoxymethoxy)cyclohexyl]oxy-dimethylsilane
SMILESC/C=C1\CC[C@H](OCOC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC
InChIInChI=1S/C17H34O4Si/c1-9-13-10-11-14(20-12-18-5)16(15(13)19-6)21-22(7,8)17(2,3)4/h9,14-16H,10-12H2,1-8H3/b13-9+/t14-,15+,16+/m0/s1
InChIKeyJGWIZSQAUMBXAD-FYBISIHISA-N
XLogP4.12
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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'}

Analyze tert-butyl-[(1R,2R,3E,6S)-3-ethylidene-2-methoxy-6-(methoxymethoxy)cyclohexyl]oxy-dimethylsilane with MolForge

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Related Compounds

[(1S,2R,3R,4E)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethylidene-3-methoxycyclohexyl] acetate
CID 101857320
tert-butyl-[(1R,2S,6S)-2-methoxy-6-(methoxymethoxy)-3-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane
CID 134836950
tert-butyl-[(3Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3-[2-(oxan-2-yloxy)ethylidene]cyclohexyl]oxy-dimethylsilane
CID 139619863
[(1R,4S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-bis(methoxymethoxy)cyclopent-2-en-1-yl] acetate
CID 10318253
[(1S,4S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-bis(methoxymethoxy)cyclopent-2-en-1-yl] acetate
CID 10362991
[(3aS,4R,7aS)-6-(methoxymethoxymethyl)spiro[3a,4,5,7a-tetrahydro-1,3-benzodioxole-2,1'-cyclohexane]-4-yl]oxy-tert-butyl-dimethylsilane
CID 11101394
methyl 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[3-(methoxymethoxy)propylidene]cyclohexylidene]acetate
CID 11511880
tert-butyl-[(2S,3S,4S,6S)-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane
CID 23254399
tert-butyl-[(2S,3S,4S,6R)-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane
CID 23254440
[(3aS,4R,7aS)-6-(2-methoxyethyl)spiro[3a,4,5,7a-tetrahydro-1,3-benzodioxole-2,1'-cyclohexane]-4-yl]oxy-tert-butyl-dimethylsilane
CID 100926773
[(1R,2S,3S,4E)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethylidene-3-methoxycyclohexyl] acetate
CID 101857321

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,2R,3E,6S)-3-ethylidene-2-methoxy-6-(methoxymethoxy)cyclohexyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,2R,3E,6S)-3-ethylidene-2-methoxy-6-(methoxymethoxy)cyclohexyl]oxy-dimethylsilane (CID 134837047) is tert-butyl-[(1R,2R,3E,6S)-3-ethylidene-2-methoxy-6-(methoxymethoxy)cyclohexyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,2R,3E,6S)-3-ethylidene-2-methoxy-6-(methoxymethoxy)cyclohexyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,2R,3E,6S)-3-ethylidene-2-methoxy-6-(methoxymethoxy)cyclohexyl]oxy-dimethylsilane is C/C=C1\CC[C@H](OCOC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC.
What is the InChIKey of tert-butyl-[(1R,2R,3E,6S)-3-ethylidene-2-methoxy-6-(methoxymethoxy)cyclohexyl]oxy-dimethylsilane?
The InChIKey is JGWIZSQAUMBXAD-FYBISIHISA-N. The full InChI is InChI=1S/C17H34O4Si/c1-9-13-10-11-14(20-12-18-5)16(15(13)19-6)21-22(7,8)17(2,3)4/h9,14-16H,10-12H2,1-8H3/b13-9+/t14-,15+,16+/m0/s1.
What are the key properties of tert-butyl-[(1R,2R,3E,6S)-3-ethylidene-2-methoxy-6-(methoxymethoxy)cyclohexyl]oxy-dimethylsilane?
tert-butyl-[(1R,2R,3E,6S)-3-ethylidene-2-methoxy-6-(methoxymethoxy)cyclohexyl]oxy-dimethylsilane has a molecular weight of 330.54 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,2R,3E,6S)-3-ethylidene-2-methoxy-6-(methoxymethoxy)cyclohexyl]oxy-dimethylsilane is sourced from PubChem (CID 134837047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).