cis-ethyl (1R,3S)-2,2-dimethyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate

C13H24O2Si — CID 10538044

IUPACcis-ethyl (1R,3S)-2,2-dimethyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1[C@@H](/C=C/[Si](C)(C)C)C1(C)C
InChIInChI=1S/C13H24O2Si/c1-7-15-12(14)11-10(13(11,2)3)8-9-16(4,5)6/h8-11H,7H2,1-6H3/b9-8+/t10-,11+/m1/s1
InChIKeyWGJKTUUMADOOPY-OJLMFNQTSA-N
MW240.42 g/mol
LogP3.26
Rot. Bonds4

About cis-ethyl (1R,3S)-2,2-dimethyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate

cis-ethyl (1R,3S)-2,2-dimethyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate (PubChem CID 10538044) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is cis-ethyl (1R,3S)-2,2-dimethyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1R,3S)-2,2-dimethyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate
PubChem CID10538044
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Namecis-ethyl (1R,3S)-2,2-dimethyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1[C@@H](/C=C/[Si](C)(C)C)C1(C)C
InChIInChI=1S/C13H24O2Si/c1-7-15-12(14)11-10(13(11,2)3)8-9-16(4,5)6/h8-11H,7H2,1-6H3/b9-8+/t10-,11+/m1/s1
InChIKeyWGJKTUUMADOOPY-OJLMFNQTSA-N
XLogP3.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.26
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 3-tert-butylhex-5-enoate
CID 13618228
Cyclopropanecarboxylic acid, 3-ethenyl-2,2-dimethyl-, ethyl ester
CID 565177
Methyl 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate
CID 565328
Cyclopropanecarboxylic acid, 3-ethenyl-2,2-dimethyl-, methyl ester, trans-
CID 12496208
methyl (1R,2S,3R)-2-methyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate
CID 11009266
cis-methyl (1R,2R)-2-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate
CID 101400162
Ethyl 3-tert-butyl-3-methylhex-5-enoate
CID 134916543
ethyl (1R)-2-methyl-1-prop-2-enylcyclopropane-1-carboxylate
CID 135036777
cis-methyl (1R,2S)-2-methyl-3-(2-trimethylsilylethenyl)cyclopropane-1-carboxylate
CID 135036885
Ethyl 2,2-dimethyl-3-prop-2-enylcyclopropane-1-carboxylate
CID 588084
ethyl (2R)-2-[(2R)-3,3-dimethylbutan-2-yl]pent-4-enoate
CID 10013430
Methyl 2-ethenyl-1-trimethylsilylcyclopropane-1-carboxylate
CID 10856457

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1R,3S)-2,2-dimethyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate?
The IUPAC name of cis-ethyl (1R,3S)-2,2-dimethyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate (CID 10538044) is cis-ethyl (1R,3S)-2,2-dimethyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1R,3S)-2,2-dimethyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate?
The canonical SMILES for cis-ethyl (1R,3S)-2,2-dimethyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate is CCOC(=O)[C@@H]1[C@@H](/C=C/[Si](C)(C)C)C1(C)C.
What is the InChIKey of cis-ethyl (1R,3S)-2,2-dimethyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate?
The InChIKey is WGJKTUUMADOOPY-OJLMFNQTSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-7-15-12(14)11-10(13(11,2)3)8-9-16(4,5)6/h8-11H,7H2,1-6H3/b9-8+/t10-,11+/m1/s1.
What are the key properties of cis-ethyl (1R,3S)-2,2-dimethyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate?
cis-ethyl (1R,3S)-2,2-dimethyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate has a molecular weight of 240.42 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1R,3S)-2,2-dimethyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 10538044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).