methyl (1R,4Z)-3-methylidene-1-phenyl-4-(triethylsilylmethylidene)cyclopentane-1-carboxylate

C21H30O2Si — CID 101130874

IUPACmethyl (1R,4Z)-3-methylidene-1-phenyl-4-(triethylsilylmethylidene)cyclopentane-1-carboxylate
SMILESC=C1C[C@](C(=O)OC)(c2ccccc2)C/C1=C/[Si](CC)(CC)CC
InChIInChI=1S/C21H30O2Si/c1-6-24(7-2,8-3)16-18-15-21(14-17(18)4,20(22)23-5)19-12-10-9-11-13-19/h9-13,16H,4,6-8,14-15H2,1-3,5H3/b18-16-/t21-/m1/s1
InChIKeyAWWBGRSUVCBGAX-VUANCPLDSA-N
MW342.56 g/mol
LogP5.42
Rot. Bonds6

About methyl (1R,4Z)-3-methylidene-1-phenyl-4-(triethylsilylmethylidene)cyclopentane-1-carboxylate

methyl (1R,4Z)-3-methylidene-1-phenyl-4-(triethylsilylmethylidene)cyclopentane-1-carboxylate (PubChem CID 101130874) has the molecular formula C21H30O2Si and a molecular weight of 342.56 g/mol. Its IUPAC name is methyl (1R,4Z)-3-methylidene-1-phenyl-4-(triethylsilylmethylidene)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,4Z)-3-methylidene-1-phenyl-4-(triethylsilylmethylidene)cyclopentane-1-carboxylate
PubChem CID101130874
Molecular FormulaC21H30O2Si
Molecular Weight342.56 g/mol
Exact Mass342.20
IUPAC Namemethyl (1R,4Z)-3-methylidene-1-phenyl-4-(triethylsilylmethylidene)cyclopentane-1-carboxylate
SMILESC=C1C[C@](C(=O)OC)(c2ccccc2)C/C1=C/[Si](CC)(CC)CC
InChIInChI=1S/C21H30O2Si/c1-6-24(7-2,8-3)16-18-15-21(14-17(18)4,20(22)23-5)19-12-10-9-11-13-19/h9-13,16H,4,6-8,14-15H2,1-3,5H3/b18-16-/t21-/m1/s1
InChIKeyAWWBGRSUVCBGAX-VUANCPLDSA-N
XLogP5.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.56
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (1R,4Z)-3-methylidene-1-phenyl-4-(triethylsilylmethylidene)cyclopentane-1-carboxylate?
The IUPAC name of methyl (1R,4Z)-3-methylidene-1-phenyl-4-(triethylsilylmethylidene)cyclopentane-1-carboxylate (CID 101130874) is methyl (1R,4Z)-3-methylidene-1-phenyl-4-(triethylsilylmethylidene)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1R,4Z)-3-methylidene-1-phenyl-4-(triethylsilylmethylidene)cyclopentane-1-carboxylate?
The canonical SMILES for methyl (1R,4Z)-3-methylidene-1-phenyl-4-(triethylsilylmethylidene)cyclopentane-1-carboxylate is C=C1C[C@](C(=O)OC)(c2ccccc2)C/C1=C/[Si](CC)(CC)CC.
What is the InChIKey of methyl (1R,4Z)-3-methylidene-1-phenyl-4-(triethylsilylmethylidene)cyclopentane-1-carboxylate?
The InChIKey is AWWBGRSUVCBGAX-VUANCPLDSA-N. The full InChI is InChI=1S/C21H30O2Si/c1-6-24(7-2,8-3)16-18-15-21(14-17(18)4,20(22)23-5)19-12-10-9-11-13-19/h9-13,16H,4,6-8,14-15H2,1-3,5H3/b18-16-/t21-/m1/s1.
What are the key properties of methyl (1R,4Z)-3-methylidene-1-phenyl-4-(triethylsilylmethylidene)cyclopentane-1-carboxylate?
methyl (1R,4Z)-3-methylidene-1-phenyl-4-(triethylsilylmethylidene)cyclopentane-1-carboxylate has a molecular weight of 342.56 g/mol, XLogP of 5.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,4Z)-3-methylidene-1-phenyl-4-(triethylsilylmethylidene)cyclopentane-1-carboxylate is sourced from PubChem (CID 101130874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).