trans-dimethyl (3R,5S)-3-methoxy-2,2-dimethyl-5-(trimethylsilylmethyl)cyclopentane-1,1-dicarboxylate

C16H30O5Si — CID 10782677

IUPACtrans-dimethyl (3R,5S)-3-methoxy-2,2-dimethyl-5-(trimethylsilylmethyl)cyclopentane-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)[C@@H](C[Si](C)(C)C)C[C@@H](OC)C1(C)C
InChIInChI=1S/C16H30O5Si/c1-15(2)12(19-3)9-11(10-22(6,7)8)16(15,13(17)20-4)14(18)21-5/h11-12H,9-10H2,1-8H3/t11-,12-/m1/s1
InChIKeyFTNDBJGBVUKVDY-VXGBXAGGSA-N
MW330.50 g/mol
LogP2.72
Rot. Bonds5

About trans-dimethyl (3R,5S)-3-methoxy-2,2-dimethyl-5-(trimethylsilylmethyl)cyclopentane-1,1-dicarboxylate

trans-dimethyl (3R,5S)-3-methoxy-2,2-dimethyl-5-(trimethylsilylmethyl)cyclopentane-1,1-dicarboxylate (PubChem CID 10782677) has the molecular formula C16H30O5Si and a molecular weight of 330.50 g/mol. Its IUPAC name is trans-dimethyl (3R,5S)-3-methoxy-2,2-dimethyl-5-(trimethylsilylmethyl)cyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Nametrans-dimethyl (3R,5S)-3-methoxy-2,2-dimethyl-5-(trimethylsilylmethyl)cyclopentane-1,1-dicarboxylate
PubChem CID10782677
Molecular FormulaC16H30O5Si
Molecular Weight330.50 g/mol
Exact Mass330.19
IUPAC Nametrans-dimethyl (3R,5S)-3-methoxy-2,2-dimethyl-5-(trimethylsilylmethyl)cyclopentane-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)[C@@H](C[Si](C)(C)C)C[C@@H](OC)C1(C)C
InChIInChI=1S/C16H30O5Si/c1-15(2)12(19-3)9-11(10-22(6,7)8)16(15,13(17)20-4)14(18)21-5/h11-12H,9-10H2,1-8H3/t11-,12-/m1/s1
InChIKeyFTNDBJGBVUKVDY-VXGBXAGGSA-N
XLogP2.72
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-dimethyl (3R,5S)-3-methoxy-2,2-dimethyl-5-(trimethylsilylmethyl)cyclopentane-1,1-dicarboxylate?
The IUPAC name of trans-dimethyl (3R,5S)-3-methoxy-2,2-dimethyl-5-(trimethylsilylmethyl)cyclopentane-1,1-dicarboxylate (CID 10782677) is trans-dimethyl (3R,5S)-3-methoxy-2,2-dimethyl-5-(trimethylsilylmethyl)cyclopentane-1,1-dicarboxylate.
What is the SMILES notation for trans-dimethyl (3R,5S)-3-methoxy-2,2-dimethyl-5-(trimethylsilylmethyl)cyclopentane-1,1-dicarboxylate?
The canonical SMILES for trans-dimethyl (3R,5S)-3-methoxy-2,2-dimethyl-5-(trimethylsilylmethyl)cyclopentane-1,1-dicarboxylate is COC(=O)C1(C(=O)OC)[C@@H](C[Si](C)(C)C)C[C@@H](OC)C1(C)C.
What is the InChIKey of trans-dimethyl (3R,5S)-3-methoxy-2,2-dimethyl-5-(trimethylsilylmethyl)cyclopentane-1,1-dicarboxylate?
The InChIKey is FTNDBJGBVUKVDY-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H30O5Si/c1-15(2)12(19-3)9-11(10-22(6,7)8)16(15,13(17)20-4)14(18)21-5/h11-12H,9-10H2,1-8H3/t11-,12-/m1/s1.
What are the key properties of trans-dimethyl (3R,5S)-3-methoxy-2,2-dimethyl-5-(trimethylsilylmethyl)cyclopentane-1,1-dicarboxylate?
trans-dimethyl (3R,5S)-3-methoxy-2,2-dimethyl-5-(trimethylsilylmethyl)cyclopentane-1,1-dicarboxylate has a molecular weight of 330.50 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-dimethyl (3R,5S)-3-methoxy-2,2-dimethyl-5-(trimethylsilylmethyl)cyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 10782677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).