tert-butyl-[4-(methoxymethoxy)-4-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane

C16H30O3Si — CID 57103084

IUPACtert-butyl-[4-(methoxymethoxy)-4-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane
SMILESC=CCC1(OCOC)C=CC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H30O3Si/c1-8-10-16(18-13-17-5)11-9-14(12-16)19-20(6,7)15(2,3)4/h8-9,11,14H,1,10,12-13H2,2-7H3
InChIKeyAWRXLDPRECACHG-UHFFFAOYSA-N
MW298.50 g/mol
LogP4.27
Rot. Bonds7

About tert-butyl-[4-(methoxymethoxy)-4-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane

tert-butyl-[4-(methoxymethoxy)-4-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane (PubChem CID 57103084) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is tert-butyl-[4-(methoxymethoxy)-4-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-(methoxymethoxy)-4-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane
PubChem CID57103084
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Nametert-butyl-[4-(methoxymethoxy)-4-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane
SMILESC=CCC1(OCOC)C=CC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H30O3Si/c1-8-10-16(18-13-17-5)11-9-14(12-16)19-20(6,7)15(2,3)4/h8-9,11,14H,1,10,12-13H2,2-7H3
InChIKeyAWRXLDPRECACHG-UHFFFAOYSA-N
XLogP4.27
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.27
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

tert-butyl-[(1S,4R,6R)-4-(methoxymethoxy)-6-(methoxymethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane
CID 12158796
tert-butyl-dimethyl-[[(5R,7R)-2,2,9-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]silane
CID 135040498
(1RS,4RS)-4-methoxymethoxy-4-(3-trimethylsilyl-2-propynyl)-2-cyclopenten-1-yl (t-butyldimethylsilyl) ether
CID 56993888
(1RS,4RS)-3-ethyl-4-methyl-4-methoxymethoxy-2-cyclopenten-1-yl (t-butyldimethylsilyl) ether
CID 57024402
(1RS,4RS)-3-allyl-4-methyl-4-methoxymethoxy-2-cyclopenten-1-yl (t-butyldimethylsilyl) ether
CID 57042147
tert-butyl-[(E,2R,5R)-5-(methoxymethoxy)oct-6-en-2-yl]oxy-dimethylsilane
CID 149344152
tert-butyl-[(4S,5E,7S,8R,9E)-7-ethyl-8-(methoxymethoxy)-5,9-dimethylundeca-1,5,9-trien-4-yl]oxy-dimethylsilane
CID 149420818
triethyl-[(1Z,4S,6R,7E)-1-iodo-6-(methoxymethoxy)-5,5-dimethylnona-1,7-dien-4-yl]oxysilane
CID 163238496
triethyl-[(1Z,4S,6S,7E)-1-iodo-6-(methoxymethoxy)-5,5-dimethylnona-1,7-dien-4-yl]oxysilane
CID 163238505
tert-butyl-[[(1R,2S,3S,4S)-3-(methoxymethoxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy]-dimethylsilane
CID 9972960
[(E)-3-[(1S,4S)-4-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-enyl]-trimethylsilane
CID 11149166
tert-butyl-[(E,1S,3S)-1-[(Z)-3-iodoprop-2-enyl]-2,2-dimethyl-3-(2-trimethylsilylethoxymethoxy)hex-4-enoxy]-dimethylsilane
CID 11295871

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-(methoxymethoxy)-4-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[4-(methoxymethoxy)-4-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane (CID 57103084) is tert-butyl-[4-(methoxymethoxy)-4-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-(methoxymethoxy)-4-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[4-(methoxymethoxy)-4-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane is C=CCC1(OCOC)C=CC(O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl-[4-(methoxymethoxy)-4-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane?
The InChIKey is AWRXLDPRECACHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-8-10-16(18-13-17-5)11-9-14(12-16)19-20(6,7)15(2,3)4/h8-9,11,14H,1,10,12-13H2,2-7H3.
What are the key properties of tert-butyl-[4-(methoxymethoxy)-4-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane?
tert-butyl-[4-(methoxymethoxy)-4-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane has a molecular weight of 298.50 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-(methoxymethoxy)-4-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 57103084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).