trans-2-trimethylsilylethyl (1R,2R)-2-methylcyclohexane-1-carboxylate

C13H26O2Si — CID 86601789

IUPACtrans-2-trimethylsilylethyl (1R,2R)-2-methylcyclohexane-1-carboxylate
SMILESC[C@@H]1CCCC[C@H]1C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C13H26O2Si/c1-11-7-5-6-8-12(11)13(14)15-9-10-16(2,3)4/h11-12H,5-10H2,1-4H3/t11-,12-/m1/s1
InChIKeyVRICLVDPKHTMNO-VXGBXAGGSA-N
MW242.43 g/mol
LogP3.69
Rot. Bonds4

About trans-2-trimethylsilylethyl (1R,2R)-2-methylcyclohexane-1-carboxylate

trans-2-trimethylsilylethyl (1R,2R)-2-methylcyclohexane-1-carboxylate (PubChem CID 86601789) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is trans-2-trimethylsilylethyl (1R,2R)-2-methylcyclohexane-1-carboxylate.

Molecular Properties

Compound Nametrans-2-trimethylsilylethyl (1R,2R)-2-methylcyclohexane-1-carboxylate
PubChem CID86601789
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Nametrans-2-trimethylsilylethyl (1R,2R)-2-methylcyclohexane-1-carboxylate
SMILESC[C@@H]1CCCC[C@H]1C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C13H26O2Si/c1-11-7-5-6-8-12(11)13(14)15-9-10-16(2,3)4/h11-12H,5-10H2,1-4H3/t11-,12-/m1/s1
InChIKeyVRICLVDPKHTMNO-VXGBXAGGSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethyl cyclohexane propionate
CID 61466
Ethyl cyclohexylacetate
CID 21595
Ethyl 2-cyclohexylpropionate
CID 160641
Octyl cyclohexanecarboxylate
CID 582160
Ethyl 3-cyclohexylbutanoate
CID 11041742
2-Methyl-cyclohexanecarboxylic acid methyl ester
CID 13173840
n-Butyl cyclohexylacetate
CID 251210
Propyl cyclohexaneacetate
CID 91924
[(1S)-2-formylcyclohexyl]methyl (2S)-2-methylbutanoate
CID 44303552
cis-methyl (1S,2R)-2-methylcyclohexane-1-carboxylate
CID 13173841
trans-2-Methyl-cyclohexanecarboxylic acid ethyl ester
CID 12610630
Ethyl (1R,2R,5R)-5-iodo-2-methylcyclohexane-1-carboxylate
CID 11208673

Frequently Asked Questions

What is the IUPAC name of trans-2-trimethylsilylethyl (1R,2R)-2-methylcyclohexane-1-carboxylate?
The IUPAC name of trans-2-trimethylsilylethyl (1R,2R)-2-methylcyclohexane-1-carboxylate (CID 86601789) is trans-2-trimethylsilylethyl (1R,2R)-2-methylcyclohexane-1-carboxylate.
What is the SMILES notation for trans-2-trimethylsilylethyl (1R,2R)-2-methylcyclohexane-1-carboxylate?
The canonical SMILES for trans-2-trimethylsilylethyl (1R,2R)-2-methylcyclohexane-1-carboxylate is C[C@@H]1CCCC[C@H]1C(=O)OCC[Si](C)(C)C.
What is the InChIKey of trans-2-trimethylsilylethyl (1R,2R)-2-methylcyclohexane-1-carboxylate?
The InChIKey is VRICLVDPKHTMNO-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-11-7-5-6-8-12(11)13(14)15-9-10-16(2,3)4/h11-12H,5-10H2,1-4H3/t11-,12-/m1/s1.
What are the key properties of trans-2-trimethylsilylethyl (1R,2R)-2-methylcyclohexane-1-carboxylate?
trans-2-trimethylsilylethyl (1R,2R)-2-methylcyclohexane-1-carboxylate has a molecular weight of 242.43 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-2-trimethylsilylethyl (1R,2R)-2-methylcyclohexane-1-carboxylate is sourced from PubChem (CID 86601789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).