methyl 2-[(1R)-3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-methylpropanoate

C16H30O3Si — CID 162405123

IUPACmethyl 2-[(1R)-3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)[C@H]1C=C(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C16H30O3Si/c1-15(2,3)20(7,8)19-13-10-9-12(11-13)16(4,5)14(17)18-6/h11-12H,9-10H2,1-8H3/t12-/m1/s1
InChIKeyFLAVCFJXRDTPJY-GFCCVEGCSA-N
MW298.50 g/mol
LogP4.50
Rot. Bonds4

About methyl 2-[(1R)-3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-methylpropanoate

methyl 2-[(1R)-3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-methylpropanoate (PubChem CID 162405123) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is methyl 2-[(1R)-3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(1R)-3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-methylpropanoate
PubChem CID162405123
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Namemethyl 2-[(1R)-3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)[C@H]1C=C(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C16H30O3Si/c1-15(2,3)20(7,8)19-13-10-9-12(11-13)16(4,5)14(17)18-6/h11-12H,9-10H2,1-8H3/t12-/m1/s1
InChIKeyFLAVCFJXRDTPJY-GFCCVEGCSA-N
XLogP4.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (1S,5R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(2-methylprop-1-enyl)bicyclo[3.1.0]hex-2-ene-1-carboxylate
CID 134872954
Methyl 2-(2-methyl-3-trimethylsilyloxycyclopent-2-en-1-yl)propanoate
CID 101362697
methyl (1S,5R,6R)-6-[(E)-prop-1-enyl]-2-tri(propan-2-yl)silyloxybicyclo[3.1.0]hex-2-ene-1-carboxylate
CID 10020800
methyl (1S,5R,6R)-6-[(Z)-prop-1-enyl]-2-tri(propan-2-yl)silyloxybicyclo[3.1.0]hex-2-ene-1-carboxylate
CID 10066504
Methyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]-2-methylpropanoate
CID 10425685
Ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]acetate
CID 10518213
Methyl 1-ethenyl-2-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 10635624
Ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]-2-methylpropanoate
CID 10782411
Methyl 2-methyl-2-(3-trimethylsilyloxycyclopent-2-en-1-yl)propanoate
CID 10967112
Ethyl 2-(3-trimethylsilyloxycyclopent-2-en-1-yl)pent-4-enoate
CID 11065923
Methyl 2-methyl-2-(3-trimethylsilyloxycyclohex-2-en-1-yl)propanoate
CID 11076513
Ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate
CID 11185228

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1R)-3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-methylpropanoate?
The IUPAC name of methyl 2-[(1R)-3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-methylpropanoate (CID 162405123) is methyl 2-[(1R)-3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(1R)-3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(1R)-3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-methylpropanoate is COC(=O)C(C)(C)[C@H]1C=C(O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of methyl 2-[(1R)-3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-methylpropanoate?
The InChIKey is FLAVCFJXRDTPJY-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-15(2,3)20(7,8)19-13-10-9-12(11-13)16(4,5)14(17)18-6/h11-12H,9-10H2,1-8H3/t12-/m1/s1.
What are the key properties of methyl 2-[(1R)-3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-methylpropanoate?
methyl 2-[(1R)-3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-methylpropanoate has a molecular weight of 298.50 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1R)-3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-2-methylpropanoate is sourced from PubChem (CID 162405123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).