methyl (1R,2Z,6Z,8R)-8-trimethylsilyloxycycloocta-2,6-diene-1-carboxylate

C13H22O3Si — CID 139250253

IUPACmethyl (1R,2Z,6Z,8R)-8-trimethylsilyloxycycloocta-2,6-diene-1-carboxylate
SMILESCOC(=O)[C@@H]1/C=C\CC/C=C\[C@H]1O[Si](C)(C)C
InChIInChI=1S/C13H22O3Si/c1-15-13(14)11-9-7-5-6-8-10-12(11)16-17(2,3)4/h7-12H,5-6H2,1-4H3/b9-7-,10-8-/t11-,12-/m1/s1
InChIKeyGLNNMBCPZGNBMX-WICDBLAJSA-N
MW254.40 g/mol
LogP2.90
Rot. Bonds3

About methyl (1R,2Z,6Z,8R)-8-trimethylsilyloxycycloocta-2,6-diene-1-carboxylate

methyl (1R,2Z,6Z,8R)-8-trimethylsilyloxycycloocta-2,6-diene-1-carboxylate (PubChem CID 139250253) has the molecular formula C13H22O3Si and a molecular weight of 254.40 g/mol. Its IUPAC name is methyl (1R,2Z,6Z,8R)-8-trimethylsilyloxycycloocta-2,6-diene-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2Z,6Z,8R)-8-trimethylsilyloxycycloocta-2,6-diene-1-carboxylate
PubChem CID139250253
Molecular FormulaC13H22O3Si
Molecular Weight254.40 g/mol
Exact Mass254.13
IUPAC Namemethyl (1R,2Z,6Z,8R)-8-trimethylsilyloxycycloocta-2,6-diene-1-carboxylate
SMILESCOC(=O)[C@@H]1/C=C\CC/C=C\[C@H]1O[Si](C)(C)C
InChIInChI=1S/C13H22O3Si/c1-15-13(14)11-9-7-5-6-8-10-12(11)16-17(2,3)4/h7-12H,5-6H2,1-4H3/b9-7-,10-8-/t11-,12-/m1/s1
InChIKeyGLNNMBCPZGNBMX-WICDBLAJSA-N
XLogP2.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

methyl (1R,2R)-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 134980044
methyl (1R,2S)-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 134991352
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethylhex-3-enoate
CID 139263493
ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate
CID 10401049
methyl (E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-enoate
CID 101611852
CID 18709898
CID 18709898
2-trimethylsilylethyl (E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-4-enoate
CID 90362172
(E)-2-[(E)-but-1-enyl]-3-[tert-butyl(dimethyl)silyl]oxyhept-4-enoic acid
CID 139693264
methyl (3S,4E)-3-[tert-butyl(dimethyl)silyl]oxyhepta-4,6-dienoate
CID 10890954
methyl (E,3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate
CID 10912215
ethyl (3S,4E)-3-[tert-butyl(dimethyl)silyl]oxyhepta-4,6-dienoate
CID 10934985
methyl (E,3R)-3-trimethylsilyloxyhex-4-enoate
CID 11020315

Frequently Asked Questions

What is the IUPAC name of methyl (1R,2Z,6Z,8R)-8-trimethylsilyloxycycloocta-2,6-diene-1-carboxylate?
The IUPAC name of methyl (1R,2Z,6Z,8R)-8-trimethylsilyloxycycloocta-2,6-diene-1-carboxylate (CID 139250253) is methyl (1R,2Z,6Z,8R)-8-trimethylsilyloxycycloocta-2,6-diene-1-carboxylate.
What is the SMILES notation for methyl (1R,2Z,6Z,8R)-8-trimethylsilyloxycycloocta-2,6-diene-1-carboxylate?
The canonical SMILES for methyl (1R,2Z,6Z,8R)-8-trimethylsilyloxycycloocta-2,6-diene-1-carboxylate is COC(=O)[C@@H]1/C=C\CC/C=C\[C@H]1O[Si](C)(C)C.
What is the InChIKey of methyl (1R,2Z,6Z,8R)-8-trimethylsilyloxycycloocta-2,6-diene-1-carboxylate?
The InChIKey is GLNNMBCPZGNBMX-WICDBLAJSA-N. The full InChI is InChI=1S/C13H22O3Si/c1-15-13(14)11-9-7-5-6-8-10-12(11)16-17(2,3)4/h7-12H,5-6H2,1-4H3/b9-7-,10-8-/t11-,12-/m1/s1.
What are the key properties of methyl (1R,2Z,6Z,8R)-8-trimethylsilyloxycycloocta-2,6-diene-1-carboxylate?
methyl (1R,2Z,6Z,8R)-8-trimethylsilyloxycycloocta-2,6-diene-1-carboxylate has a molecular weight of 254.40 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2Z,6Z,8R)-8-trimethylsilyloxycycloocta-2,6-diene-1-carboxylate is sourced from PubChem (CID 139250253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).