tert-butyl-[4-(methoxymethoxy)-4-methyl-3-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane

C17H32O3Si — CID 57042147

IUPACtert-butyl-[4-(methoxymethoxy)-4-methyl-3-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane
SMILESC=CCC1=CC(O[Si](C)(C)C(C)(C)C)CC1(C)OCOC
InChIInChI=1S/C17H32O3Si/c1-9-10-14-11-15(12-17(14,5)19-13-18-6)20-21(7,8)16(2,3)4/h9,11,15H,1,10,12-13H2,2-8H3
InChIKeyRHXXXHSIZBWOBO-UHFFFAOYSA-N
MW312.53 g/mol
LogP4.66
Rot. Bonds7

About tert-butyl-[4-(methoxymethoxy)-4-methyl-3-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane

tert-butyl-[4-(methoxymethoxy)-4-methyl-3-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane (PubChem CID 57042147) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is tert-butyl-[4-(methoxymethoxy)-4-methyl-3-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-(methoxymethoxy)-4-methyl-3-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane
PubChem CID57042147
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Nametert-butyl-[4-(methoxymethoxy)-4-methyl-3-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane
SMILESC=CCC1=CC(O[Si](C)(C)C(C)(C)C)CC1(C)OCOC
InChIInChI=1S/C17H32O3Si/c1-9-10-14-11-15(12-17(14,5)19-13-18-6)20-21(7,8)16(2,3)4/h9,11,15H,1,10,12-13H2,2-8H3
InChIKeyRHXXXHSIZBWOBO-UHFFFAOYSA-N
XLogP4.66
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 54.66
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
(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
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-[(E)-5-[5-methoxy-3-[(3E)-3-methylhexa-3,5-dienyl]oxolan-2-yl]-4-methylpent-4-enoxy]-dimethylsilane
CID 140810756
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-[5-[5-methoxy-3-(3-methylhexa-3,5-dienyl)oxolan-2-yl]-4-methylpent-4-enoxy]-dimethylsilane
CID 173624130
tert-butyl-[(E)-5-[(3S)-5-methoxy-3-[(E)-3-methylhept-3-enyl]oxolan-2-yl]-4-methylpent-4-enoxy]-dimethylsilane
CID 173714213
tert-butyl-[(E)-5-[(2S,3S)-5-methoxy-3-[(3E)-3-methylhexa-3,5-dienyl]oxolan-2-yl]-4-methylpent-4-enoxy]-dimethylsilane
CID 173714572
2-[[(E)-2,6-dimethyl-7-(oxiran-2-yl)hept-2-enoxy]methoxy]ethyl-trimethylsilane
CID 173952353
[(E)-3-[(1S,4S)-4-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-enyl]-trimethylsilane
CID 11149166

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-(methoxymethoxy)-4-methyl-3-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[4-(methoxymethoxy)-4-methyl-3-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane (CID 57042147) is tert-butyl-[4-(methoxymethoxy)-4-methyl-3-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-(methoxymethoxy)-4-methyl-3-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[4-(methoxymethoxy)-4-methyl-3-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane is C=CCC1=CC(O[Si](C)(C)C(C)(C)C)CC1(C)OCOC.
What is the InChIKey of tert-butyl-[4-(methoxymethoxy)-4-methyl-3-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane?
The InChIKey is RHXXXHSIZBWOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-9-10-14-11-15(12-17(14,5)19-13-18-6)20-21(7,8)16(2,3)4/h9,11,15H,1,10,12-13H2,2-8H3.
What are the key properties of tert-butyl-[4-(methoxymethoxy)-4-methyl-3-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane?
tert-butyl-[4-(methoxymethoxy)-4-methyl-3-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane has a molecular weight of 312.53 g/mol, XLogP of 4.66, 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-methyl-3-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 57042147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).