cis-ethyl (1S,2S)-2-[(E)-2-trimethylsilylethenyl]cyclohexane-1-carboxylate

C14H26O2Si — CID 10824865

IUPACcis-ethyl (1S,2S)-2-[(E)-2-trimethylsilylethenyl]cyclohexane-1-carboxylate
SMILESCCOC(=O)[C@H]1CCCC[C@@H]1/C=C/[Si](C)(C)C
InChIInChI=1S/C14H26O2Si/c1-5-16-14(15)13-9-7-6-8-12(13)10-11-17(2,3)4/h10-13H,5-9H2,1-4H3/b11-10+/t12-,13+/m1/s1
InChIKeyUSPIXQRONWDQFT-NQYVGZPUSA-N
MW254.45 g/mol
LogP3.79
Rot. Bonds4

About cis-ethyl (1S,2S)-2-[(E)-2-trimethylsilylethenyl]cyclohexane-1-carboxylate

cis-ethyl (1S,2S)-2-[(E)-2-trimethylsilylethenyl]cyclohexane-1-carboxylate (PubChem CID 10824865) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is cis-ethyl (1S,2S)-2-[(E)-2-trimethylsilylethenyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1S,2S)-2-[(E)-2-trimethylsilylethenyl]cyclohexane-1-carboxylate
PubChem CID10824865
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Namecis-ethyl (1S,2S)-2-[(E)-2-trimethylsilylethenyl]cyclohexane-1-carboxylate
SMILESCCOC(=O)[C@H]1CCCC[C@@H]1/C=C/[Si](C)(C)C
InChIInChI=1S/C14H26O2Si/c1-5-16-14(15)13-9-7-6-8-12(13)10-11-17(2,3)4/h10-13H,5-9H2,1-4H3/b11-10+/t12-,13+/m1/s1
InChIKeyUSPIXQRONWDQFT-NQYVGZPUSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.79
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 2-[(1R,2R)-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate
CID 134901108
trans-methyl (1R,2R)-2-propa-1,2-dienylcyclohexane-1-carboxylate
CID 134963567
Cyclohexanecarboxylic acid, 2-(2-propenyl)-, methyl ester
CID 557280
ethyl 3-[(1S,2S)-3-oxo-2-prop-2-enylcyclohexyl]propanoate
CID 10799963
cis-ethyl (1S,2R)-2-ethenylcyclohexane-1-carboxylate
CID 11116684
Ethyl 2-cyclohexylpent-4-enoate
CID 58913249
2-Trimethylsilylethyl 2-methylcyclohexane-1-carboxylate
CID 59599000
3-Methylene-cyclohexanecarboxylic acid 2-trimethylsilanyl-ethyl ester
CID 59733752
trans-2-trimethylsilylethyl (1R,2R)-2-methylcyclohexane-1-carboxylate
CID 86601789
Ethyl 3-methyl-2-propan-2-yloct-7-enoate
CID 87481863
Ethyl 2-(4-prop-2-enylcyclohexyl)acetate
CID 89472943
Ethyl 2-prop-1-enylcyclohexane-1-carboxylate
CID 123391143

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1S,2S)-2-[(E)-2-trimethylsilylethenyl]cyclohexane-1-carboxylate?
The IUPAC name of cis-ethyl (1S,2S)-2-[(E)-2-trimethylsilylethenyl]cyclohexane-1-carboxylate (CID 10824865) is cis-ethyl (1S,2S)-2-[(E)-2-trimethylsilylethenyl]cyclohexane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1S,2S)-2-[(E)-2-trimethylsilylethenyl]cyclohexane-1-carboxylate?
The canonical SMILES for cis-ethyl (1S,2S)-2-[(E)-2-trimethylsilylethenyl]cyclohexane-1-carboxylate is CCOC(=O)[C@H]1CCCC[C@@H]1/C=C/[Si](C)(C)C.
What is the InChIKey of cis-ethyl (1S,2S)-2-[(E)-2-trimethylsilylethenyl]cyclohexane-1-carboxylate?
The InChIKey is USPIXQRONWDQFT-NQYVGZPUSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-5-16-14(15)13-9-7-6-8-12(13)10-11-17(2,3)4/h10-13H,5-9H2,1-4H3/b11-10+/t12-,13+/m1/s1.
What are the key properties of cis-ethyl (1S,2S)-2-[(E)-2-trimethylsilylethenyl]cyclohexane-1-carboxylate?
cis-ethyl (1S,2S)-2-[(E)-2-trimethylsilylethenyl]cyclohexane-1-carboxylate has a molecular weight of 254.45 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1S,2S)-2-[(E)-2-trimethylsilylethenyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 10824865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).