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

C16H30O2Si — CID 57275069

IUPACtert-butyl-[4-(methoxymethyl)-4-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane
SMILESC=CCC1(COC)C=CC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H30O2Si/c1-8-10-16(13-17-5)11-9-14(12-16)18-19(6,7)15(2,3)4/h8-9,11,14H,1,10,12-13H2,2-7H3
InChIKeyQYDOBNHSTGZVSK-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.55
Rot. Bonds6

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

tert-butyl-[4-(methoxymethyl)-4-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane (PubChem CID 57275069) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is tert-butyl-[4-(methoxymethyl)-4-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-(methoxymethyl)-4-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane
PubChem CID57275069
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Nametert-butyl-[4-(methoxymethyl)-4-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane
SMILESC=CCC1(COC)C=CC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H30O2Si/c1-8-10-16(13-17-5)11-9-14(12-16)18-19(6,7)15(2,3)4/h8-9,11,14H,1,10,12-13H2,2-7H3
InChIKeyQYDOBNHSTGZVSK-UHFFFAOYSA-N
XLogP4.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(Z,1S,3S)-6-iodo-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxyhex-5-enoxy]-dimethylsilane
CID 138977255
tert-butyl-[(1S)-4-ethenyl-4-[(E)-3-methoxyprop-2-enyl]cyclohex-2-en-1-yl]oxy-dimethylsilane
CID 12132481
Tert-butyl-(2-ethenyl-5,5-dimethylcyclopent-2-en-1-yl)oxy-dimethylsilane
CID 14931224
Tert-butyl-(3-ethenyl-5,5-dimethylcyclopent-2-en-1-yl)oxy-dimethylsilane
CID 14931225
4-(t-Butyldimethylsilyloxymethyl)-3,4-dimethyl-cyclo-pent-2-enol
CID 129825837
CID 134831207
CID 134831207
tert-butyl-[(1S,3S)-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxyhex-5-enoxy]-dimethylsilane
CID 134951609
tert-butyl-[(4R)-4-ethylcyclopent-2-en-1-yl]oxy-dimethylsilane
CID 159168782
tert-butyl-[(1R)-6,6-dimethylcyclohex-2-en-1-yl]oxy-dimethylsilane
CID 173552079
tert-butyl-[(Z)-6-iodo-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxyhex-5-enoxy]-dimethylsilane
CID 173943708
tert-butyl-[[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]methoxy]-dimethylsilane
CID 10246798
tert-butyl-[(1R,4S)-4-methoxy-5,5-dimethylcyclohex-2-en-1-yl]oxy-dimethylsilane
CID 10468382

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-(methoxymethyl)-4-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[4-(methoxymethyl)-4-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane (CID 57275069) is tert-butyl-[4-(methoxymethyl)-4-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-(methoxymethyl)-4-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[4-(methoxymethyl)-4-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane is C=CCC1(COC)C=CC(O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl-[4-(methoxymethyl)-4-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane?
The InChIKey is QYDOBNHSTGZVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-8-10-16(13-17-5)11-9-14(12-16)18-19(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-(methoxymethyl)-4-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane?
tert-butyl-[4-(methoxymethyl)-4-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane has a molecular weight of 282.50 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-(methoxymethyl)-4-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 57275069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).