methyl (1R,5S)-5-trimethylsilylcyclohex-3-ene-1-carboxylate

C11H20O2Si — CID 134944041

IUPACmethyl (1R,5S)-5-trimethylsilylcyclohex-3-ene-1-carboxylate
SMILESCOC(=O)[C@@H]1CC=C[C@@H]([Si](C)(C)C)C1
InChIInChI=1S/C11H20O2Si/c1-13-11(12)9-6-5-7-10(8-9)14(2,3)4/h5,7,9-10H,6,8H2,1-4H3/t9-,10-/m1/s1
InChIKeyDRLZTMWICYBFHP-NXEZZACHSA-N
MW212.36 g/mol
LogP2.83
Rot. Bonds2

About methyl (1R,5S)-5-trimethylsilylcyclohex-3-ene-1-carboxylate

methyl (1R,5S)-5-trimethylsilylcyclohex-3-ene-1-carboxylate (PubChem CID 134944041) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is methyl (1R,5S)-5-trimethylsilylcyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,5S)-5-trimethylsilylcyclohex-3-ene-1-carboxylate
PubChem CID134944041
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Namemethyl (1R,5S)-5-trimethylsilylcyclohex-3-ene-1-carboxylate
SMILESCOC(=O)[C@@H]1CC=C[C@@H]([Si](C)(C)C)C1
InChIInChI=1S/C11H20O2Si/c1-13-11(12)9-6-5-7-10(8-9)14(2,3)4/h5,7,9-10H,6,8H2,1-4H3/t9-,10-/m1/s1
InChIKeyDRLZTMWICYBFHP-NXEZZACHSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.83
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

methyl (1R,5S)-5-methoxycarbonyloxycyclohex-3-ene-1-carboxylate
CID 134872441
cis-dimethyl (1R,3S)-cyclopentane-1,3-dicarboxylate
CID 642990
methyl 3,4-dihydro-2H-pyran-3-carboxylate
CID 45089973
methyl 3-(methylamino)cyclobutane-1-carboxylate
CID 122164415
trans-dimethyl (1R,3R)-cyclohexane-1,3-dicarboxylate
CID 83819230
dimethyl (3R)-5-acetylcyclohexane-1,3-dicarboxylate
CID 135297796
3,5-bis(methoxycarbonyl)cyclohexane-1-carboxylic acid
CID 23444132
methyl (2S,6S)-2-methyl-3,6-dihydro-2H-pyran-6-carboxylate
CID 131850418
methyl 1-methyl-3,4-dihydro-2H-pyridine-3-carboxylate
CID 20975306
cyclopent-3-en-1-ylmethanol;methyl cyclopent-3-ene-1-carboxylate
CID 162089386
methyl cyclohexanecarboxylate;methyl cyclohex-3-ene-1-carboxylate;molecular hydrogen
CID 159841486
methyl (1S,5S)-5-[bis[(4-methoxyphenyl)methyl]amino]cyclohex-3-ene-1-carboxylate
CID 102357282

Frequently Asked Questions

What is the IUPAC name of methyl (1R,5S)-5-trimethylsilylcyclohex-3-ene-1-carboxylate?
The IUPAC name of methyl (1R,5S)-5-trimethylsilylcyclohex-3-ene-1-carboxylate (CID 134944041) is methyl (1R,5S)-5-trimethylsilylcyclohex-3-ene-1-carboxylate.
What is the SMILES notation for methyl (1R,5S)-5-trimethylsilylcyclohex-3-ene-1-carboxylate?
The canonical SMILES for methyl (1R,5S)-5-trimethylsilylcyclohex-3-ene-1-carboxylate is COC(=O)[C@@H]1CC=C[C@@H]([Si](C)(C)C)C1.
What is the InChIKey of methyl (1R,5S)-5-trimethylsilylcyclohex-3-ene-1-carboxylate?
The InChIKey is DRLZTMWICYBFHP-NXEZZACHSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-13-11(12)9-6-5-7-10(8-9)14(2,3)4/h5,7,9-10H,6,8H2,1-4H3/t9-,10-/m1/s1.
What are the key properties of methyl (1R,5S)-5-trimethylsilylcyclohex-3-ene-1-carboxylate?
methyl (1R,5S)-5-trimethylsilylcyclohex-3-ene-1-carboxylate has a molecular weight of 212.36 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,5S)-5-trimethylsilylcyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 134944041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).