trans-[tert-butyl(dimethyl)silyl] (1R,2R)-2-ethenylcyclohexane-1-carboxylate

C15H28O2Si — CID 10869292

IUPACtrans-[tert-butyl(dimethyl)silyl] (1R,2R)-2-ethenylcyclohexane-1-carboxylate
SMILESC=C[C@H]1CCCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-7-12-10-8-9-11-13(12)14(16)17-18(5,6)15(2,3)4/h7,12-13H,1,8-11H2,2-6H3/t12-,13+/m0/s1
InChIKeyMKVMYPKBVSADJC-QWHCGFSZSA-N
MW268.47 g/mol
LogP4.53
Rot. Bonds3

About trans-[tert-butyl(dimethyl)silyl] (1R,2R)-2-ethenylcyclohexane-1-carboxylate

trans-[tert-butyl(dimethyl)silyl] (1R,2R)-2-ethenylcyclohexane-1-carboxylate (PubChem CID 10869292) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is trans-[tert-butyl(dimethyl)silyl] (1R,2R)-2-ethenylcyclohexane-1-carboxylate.

Molecular Properties

Compound Nametrans-[tert-butyl(dimethyl)silyl] (1R,2R)-2-ethenylcyclohexane-1-carboxylate
PubChem CID10869292
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Nametrans-[tert-butyl(dimethyl)silyl] (1R,2R)-2-ethenylcyclohexane-1-carboxylate
SMILESC=C[C@H]1CCCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-7-12-10-8-9-11-13(12)14(16)17-18(5,6)15(2,3)4/h7,12-13H,1,8-11H2,2-6H3/t12-,13+/m0/s1
InChIKeyMKVMYPKBVSADJC-QWHCGFSZSA-N
XLogP4.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.53
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

trans-methyl (1R,2R)-2-but-3-enyl-2-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate
CID 11120961
[tert-butyl(dimethyl)silyl] (2S)-2-[(1R)-cyclohex-2-en-1-yl]propanoate
CID 135018892
[tert-butyl(dimethyl)silyl] (2R)-2-[(1R)-cyclohex-2-en-1-yl]propanoate
CID 135040256
Cyclohexanecarboxylic acid, 2-(2-propenyl)-, methyl ester
CID 557280
2-[2-[[Tert-butyl(dimethyl)silyl]methylidene]cyclohexyl]acetic acid
CID 54523613
2-[(2Z)-2-[[tert-butyl(dimethyl)silyl]methylidene]cyclohexyl]acetic acid
CID 67853854
4-[[Tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenylcyclohexan-1-one
CID 69212138
[Cyclohexyl(dimethyl)silyl] 2-propyldec-7-enoate
CID 69621199
Methyl 2-(2-ethenylcyclohexyl)propanoate
CID 141349607
Triethylsilyl 2-prop-2-enylhexanoate
CID 174788820
cis-ethyl (1S,2S)-2-[(E)-2-trimethylsilylethenyl]cyclohexane-1-carboxylate
CID 10824865
trans-[tert-butyl(dimethyl)silyl] (1R,2R)-2-ethenylcyclopentane-1-carboxylate
CID 11021455

Frequently Asked Questions

What is the IUPAC name of trans-[tert-butyl(dimethyl)silyl] (1R,2R)-2-ethenylcyclohexane-1-carboxylate?
The IUPAC name of trans-[tert-butyl(dimethyl)silyl] (1R,2R)-2-ethenylcyclohexane-1-carboxylate (CID 10869292) is trans-[tert-butyl(dimethyl)silyl] (1R,2R)-2-ethenylcyclohexane-1-carboxylate.
What is the SMILES notation for trans-[tert-butyl(dimethyl)silyl] (1R,2R)-2-ethenylcyclohexane-1-carboxylate?
The canonical SMILES for trans-[tert-butyl(dimethyl)silyl] (1R,2R)-2-ethenylcyclohexane-1-carboxylate is C=C[C@H]1CCCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of trans-[tert-butyl(dimethyl)silyl] (1R,2R)-2-ethenylcyclohexane-1-carboxylate?
The InChIKey is MKVMYPKBVSADJC-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-7-12-10-8-9-11-13(12)14(16)17-18(5,6)15(2,3)4/h7,12-13H,1,8-11H2,2-6H3/t12-,13+/m0/s1.
What are the key properties of trans-[tert-butyl(dimethyl)silyl] (1R,2R)-2-ethenylcyclohexane-1-carboxylate?
trans-[tert-butyl(dimethyl)silyl] (1R,2R)-2-ethenylcyclohexane-1-carboxylate has a molecular weight of 268.47 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-[tert-butyl(dimethyl)silyl] (1R,2R)-2-ethenylcyclohexane-1-carboxylate is sourced from PubChem (CID 10869292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).