tert-butyl-[4-(methoxymethoxy)-4-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-yl]oxy-dimethylsilane

C19H36O3Si2 — CID 56993888

IUPACtert-butyl-[4-(methoxymethoxy)-4-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-yl]oxy-dimethylsilane
SMILESCOCOC1(CC#C[Si](C)(C)C)C=CC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C19H36O3Si2/c1-18(2,3)24(8,9)22-17-11-13-19(15-17,21-16-20-4)12-10-14-23(5,6)7/h11,13,17H,12,15-16H2,1-9H3
InChIKeyLYTDUEBSXHZJTO-UHFFFAOYSA-N
MW368.67 g/mol
LogP4.97
Rot. Bonds6

About tert-butyl-[4-(methoxymethoxy)-4-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-yl]oxy-dimethylsilane

tert-butyl-[4-(methoxymethoxy)-4-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-yl]oxy-dimethylsilane (PubChem CID 56993888) has the molecular formula C19H36O3Si2 and a molecular weight of 368.67 g/mol. Its IUPAC name is tert-butyl-[4-(methoxymethoxy)-4-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-(methoxymethoxy)-4-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-yl]oxy-dimethylsilane
PubChem CID56993888
Molecular FormulaC19H36O3Si2
Molecular Weight368.67 g/mol
Exact Mass368.22
IUPAC Nametert-butyl-[4-(methoxymethoxy)-4-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-yl]oxy-dimethylsilane
SMILESCOCOC1(CC#C[Si](C)(C)C)C=CC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C19H36O3Si2/c1-18(2,3)24(8,9)22-17-11-13-19(15-17,21-16-20-4)12-10-14-23(5,6)7/h11,13,17H,12,15-16H2,1-9H3
InChIKeyLYTDUEBSXHZJTO-UHFFFAOYSA-N
XLogP4.97
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.67
LogP ≤ 54.97
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'}, {'alert_name': 'triple_bond', '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)-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-[4-(methoxymethoxy)-4-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane
CID 57103084
triethyl-[(1R,4S)-4-triethylsilyloxy-1-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-yl]oxysilane
CID 139926309
3-[1-(Methoxymethoxy)cyclopent-2-en-1-yl]prop-1-ynyl-trimethylsilane
CID 173301989
tert-butyl-[(1S,2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-2-(methoxymethoxy)-2-prop-2-ynylcyclopent-3-en-1-yl]oxy-dimethylsilane
CID 11080876
tert-butyl-dimethyl-[(Z,1S)-1-[(E,3S)-2-methyl-3-(2-trimethylsilylethoxymethoxy)hex-4-en-2-yl]hex-3-en-5-ynoxy]silane
CID 11612172
tert-butyl-dimethyl-[(Z,1S)-1-[(E,3S)-2-methyl-3-(2-trimethylsilylethoxymethoxy)hex-4-en-2-yl]-6-trimethylsilylhex-3-en-5-ynoxy]silane
CID 11678087
[(1S,8Z,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-yl]oxy-trimethylsilane
CID 101693454

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-(methoxymethoxy)-4-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[4-(methoxymethoxy)-4-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-yl]oxy-dimethylsilane (CID 56993888) is tert-butyl-[4-(methoxymethoxy)-4-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-(methoxymethoxy)-4-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[4-(methoxymethoxy)-4-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-yl]oxy-dimethylsilane is COCOC1(CC#C[Si](C)(C)C)C=CC(O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl-[4-(methoxymethoxy)-4-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-yl]oxy-dimethylsilane?
The InChIKey is LYTDUEBSXHZJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O3Si2/c1-18(2,3)24(8,9)22-17-11-13-19(15-17,21-16-20-4)12-10-14-23(5,6)7/h11,13,17H,12,15-16H2,1-9H3.
What are the key properties of tert-butyl-[4-(methoxymethoxy)-4-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-yl]oxy-dimethylsilane?
tert-butyl-[4-(methoxymethoxy)-4-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-yl]oxy-dimethylsilane has a molecular weight of 368.67 g/mol, XLogP of 4.97, 6 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-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 56993888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).