trans-methyl (1R,5R)-1-acetyl-2-methylidene-5-(trimethylsilylmethyl)cyclopentane-1-carboxylate

C14H24O3Si — CID 10978484

IUPACtrans-methyl (1R,5R)-1-acetyl-2-methylidene-5-(trimethylsilylmethyl)cyclopentane-1-carboxylate
SMILESC=C1CC[C@@H](C[Si](C)(C)C)[C@@]1(C(C)=O)C(=O)OC
InChIInChI=1S/C14H24O3Si/c1-10-7-8-12(9-18(4,5)6)14(10,11(2)15)13(16)17-3/h12H,1,7-9H2,2-6H3/t12-,14+/m0/s1
InChIKeyZTMDVCHUZVPBRR-GXTWGEPZSA-N
MW268.43 g/mol
LogP3.04
Rot. Bonds4

About trans-methyl (1R,5R)-1-acetyl-2-methylidene-5-(trimethylsilylmethyl)cyclopentane-1-carboxylate

trans-methyl (1R,5R)-1-acetyl-2-methylidene-5-(trimethylsilylmethyl)cyclopentane-1-carboxylate (PubChem CID 10978484) has the molecular formula C14H24O3Si and a molecular weight of 268.43 g/mol. Its IUPAC name is trans-methyl (1R,5R)-1-acetyl-2-methylidene-5-(trimethylsilylmethyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (1R,5R)-1-acetyl-2-methylidene-5-(trimethylsilylmethyl)cyclopentane-1-carboxylate
PubChem CID10978484
Molecular FormulaC14H24O3Si
Molecular Weight268.43 g/mol
Exact Mass268.15
IUPAC Nametrans-methyl (1R,5R)-1-acetyl-2-methylidene-5-(trimethylsilylmethyl)cyclopentane-1-carboxylate
SMILESC=C1CC[C@@H](C[Si](C)(C)C)[C@@]1(C(C)=O)C(=O)OC
InChIInChI=1S/C14H24O3Si/c1-10-7-8-12(9-18(4,5)6)14(10,11(2)15)13(16)17-3/h12H,1,7-9H2,2-6H3/t12-,14+/m0/s1
InChIKeyZTMDVCHUZVPBRR-GXTWGEPZSA-N
XLogP3.04
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cis-ethyl (1R,2R)-2-methyl-1-(2-methylprop-2-enyl)-5-oxocyclopentane-1-carboxylate
CID 11075059
[Tert-butyl(dimethyl)silyl] 6-methylidene-2-oxobicyclo[3.2.0]heptane-1-carboxylate
CID 15339080
methyl (3aR,8aS)-3-methylidene-4-oxo-2,5,6,7,8,8a-hexahydro-1H-azulene-3a-carboxylate
CID 15358061
methyl (3aR,9aS)-3-methylidene-4-oxo-1,2,5,6,7,8,9,9a-octahydrocyclopenta[8]annulene-3a-carboxylate
CID 15358062
methyl (3aR,7aR)-4-methylidene-3-oxo-1,2,5,6,7,7a-hexahydroindene-3a-carboxylate
CID 15965690
2-O-ethyl 1-O,1-O'-dimethyl (3E)-3-(trimethylsilylmethylidene)cyclopentane-1,1,2-tricarboxylate
CID 46866730
methyl (3aR,6aR)-3-methylidene-4-oxo-2,5,6,6a-tetrahydro-1H-pentalene-3a-carboxylate
CID 101729450
Methyl 2-methylidene-1-(2-methylpropanoyl)cyclopentane-1-carboxylate
CID 102348540
cis-methyl (1R,2R)-1-acetyl-2-methyl-5-methylidenecyclopentane-1-carboxylate
CID 134861643
ethyl (3aR,9aS)-3-methylidene-4-oxo-1,2,5,6,7,8,9,9a-octahydrocyclopenta[8]annulene-3a-carboxylate
CID 134899399
methyl (3aR,7aS)-3-methylidene-4-oxo-1,2,5,6,7,7a-hexahydroindene-3a-carboxylate
CID 134981162
cis-methyl (1R,2R)-2-methyl-1-(3-methylbut-3-enyl)-5-oxocyclopentane-1-carboxylate
CID 138982934

Frequently Asked Questions

What is the IUPAC name of trans-methyl (1R,5R)-1-acetyl-2-methylidene-5-(trimethylsilylmethyl)cyclopentane-1-carboxylate?
The IUPAC name of trans-methyl (1R,5R)-1-acetyl-2-methylidene-5-(trimethylsilylmethyl)cyclopentane-1-carboxylate (CID 10978484) is trans-methyl (1R,5R)-1-acetyl-2-methylidene-5-(trimethylsilylmethyl)cyclopentane-1-carboxylate.
What is the SMILES notation for trans-methyl (1R,5R)-1-acetyl-2-methylidene-5-(trimethylsilylmethyl)cyclopentane-1-carboxylate?
The canonical SMILES for trans-methyl (1R,5R)-1-acetyl-2-methylidene-5-(trimethylsilylmethyl)cyclopentane-1-carboxylate is C=C1CC[C@@H](C[Si](C)(C)C)[C@@]1(C(C)=O)C(=O)OC.
What is the InChIKey of trans-methyl (1R,5R)-1-acetyl-2-methylidene-5-(trimethylsilylmethyl)cyclopentane-1-carboxylate?
The InChIKey is ZTMDVCHUZVPBRR-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H24O3Si/c1-10-7-8-12(9-18(4,5)6)14(10,11(2)15)13(16)17-3/h12H,1,7-9H2,2-6H3/t12-,14+/m0/s1.
What are the key properties of trans-methyl (1R,5R)-1-acetyl-2-methylidene-5-(trimethylsilylmethyl)cyclopentane-1-carboxylate?
trans-methyl (1R,5R)-1-acetyl-2-methylidene-5-(trimethylsilylmethyl)cyclopentane-1-carboxylate has a molecular weight of 268.43 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methyl (1R,5R)-1-acetyl-2-methylidene-5-(trimethylsilylmethyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 10978484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).