tert-butyl-[3-ethyl-4-(methoxymethoxy)-4-methylcyclopent-2-en-1-yl]oxy-dimethylsilane

C16H32O3Si — CID 57024402

IUPACtert-butyl-[3-ethyl-4-(methoxymethoxy)-4-methylcyclopent-2-en-1-yl]oxy-dimethylsilane
SMILESCCC1=CC(O[Si](C)(C)C(C)(C)C)CC1(C)OCOC
InChIInChI=1S/C16H32O3Si/c1-9-13-10-14(11-16(13,5)18-12-17-6)19-20(7,8)15(2,3)4/h10,14H,9,11-12H2,1-8H3
InChIKeyXJXJOLKTXPKFDZ-UHFFFAOYSA-N
MW300.52 g/mol
LogP4.50
Rot. Bonds6

About tert-butyl-[3-ethyl-4-(methoxymethoxy)-4-methylcyclopent-2-en-1-yl]oxy-dimethylsilane

tert-butyl-[3-ethyl-4-(methoxymethoxy)-4-methylcyclopent-2-en-1-yl]oxy-dimethylsilane (PubChem CID 57024402) has the molecular formula C16H32O3Si and a molecular weight of 300.52 g/mol. Its IUPAC name is tert-butyl-[3-ethyl-4-(methoxymethoxy)-4-methylcyclopent-2-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-ethyl-4-(methoxymethoxy)-4-methylcyclopent-2-en-1-yl]oxy-dimethylsilane
PubChem CID57024402
Molecular FormulaC16H32O3Si
Molecular Weight300.52 g/mol
Exact Mass300.21
IUPAC Nametert-butyl-[3-ethyl-4-(methoxymethoxy)-4-methylcyclopent-2-en-1-yl]oxy-dimethylsilane
SMILESCCC1=CC(O[Si](C)(C)C(C)(C)C)CC1(C)OCOC
InChIInChI=1S/C16H32O3Si/c1-9-13-10-14(11-16(13,5)18-12-17-6)19-20(7,8)15(2,3)4/h10,14H,9,11-12H2,1-8H3
InChIKeyXJXJOLKTXPKFDZ-UHFFFAOYSA-N
XLogP4.50
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.52
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

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(1RS,4RS)-4-methoxymethoxy-4-(3-trimethylsilyl-2-propynyl)-2-cyclopenten-1-yl (t-butyldimethylsilyl) ether
CID 56993888
(1RS,4RS)-3-allyl-4-methyl-4-methoxymethoxy-2-cyclopenten-1-yl (t-butyldimethylsilyl) ether
CID 57042147
Tert-butyl-[4-(methoxymethoxy)-4-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane
CID 57103084
[2-({[(2E,6S)-2,6-Dimethyl-7-(2-oxiranyl)-2-heptenyl]oxy}methoxy)ethyl](trimethyl)silane
CID 117070174
tert-butyl-[(4S,5E,7S,8R,9E)-7-ethyl-8-(methoxymethoxy)-5,9-dimethylundeca-1,5,9-trien-4-yl]oxy-dimethylsilane
CID 149420818
Tert-butyl-dimethyl-[2-(3,4,4-trimethylcyclopent-2-en-1-yl)oxypropan-2-yloxy]silane
CID 173678215
tert-butyl-[(E)-5-[(3S)-5-methoxy-3-[(E)-3-methylhept-3-enyl]oxolan-2-yl]-4-methylpent-4-enoxy]-dimethylsilane
CID 173714213
2-[[(E)-2,6-dimethyl-7-(oxiran-2-yl)hept-2-enoxy]methoxy]ethyl-trimethylsilane
CID 173952353
2-[[(E,6S)-2,6-dimethyl-7-[(2R)-oxiran-2-yl]hept-2-enoxy]methoxy]ethyl-trimethylsilane
CID 99771925
2-[[(E,6S)-2,6-dimethyl-7-[(2S)-oxiran-2-yl]hept-2-enoxy]methoxy]ethyl-trimethylsilane
CID 99771926

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-ethyl-4-(methoxymethoxy)-4-methylcyclopent-2-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[3-ethyl-4-(methoxymethoxy)-4-methylcyclopent-2-en-1-yl]oxy-dimethylsilane (CID 57024402) is tert-butyl-[3-ethyl-4-(methoxymethoxy)-4-methylcyclopent-2-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-ethyl-4-(methoxymethoxy)-4-methylcyclopent-2-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[3-ethyl-4-(methoxymethoxy)-4-methylcyclopent-2-en-1-yl]oxy-dimethylsilane is CCC1=CC(O[Si](C)(C)C(C)(C)C)CC1(C)OCOC.
What is the InChIKey of tert-butyl-[3-ethyl-4-(methoxymethoxy)-4-methylcyclopent-2-en-1-yl]oxy-dimethylsilane?
The InChIKey is XJXJOLKTXPKFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-9-13-10-14(11-16(13,5)18-12-17-6)19-20(7,8)15(2,3)4/h10,14H,9,11-12H2,1-8H3.
What are the key properties of tert-butyl-[3-ethyl-4-(methoxymethoxy)-4-methylcyclopent-2-en-1-yl]oxy-dimethylsilane?
tert-butyl-[3-ethyl-4-(methoxymethoxy)-4-methylcyclopent-2-en-1-yl]oxy-dimethylsilane has a molecular weight of 300.52 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-ethyl-4-(methoxymethoxy)-4-methylcyclopent-2-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 57024402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).