trans-dimethyl (2R,3S)-3-[dimethyl(phenyl)silyl]-2-methylcyclopentane-1,1-dicarboxylate

C18H26O4Si — CID 102278456

IUPACtrans-dimethyl (2R,3S)-3-[dimethyl(phenyl)silyl]-2-methylcyclopentane-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC[C@H]([Si](C)(C)c2ccccc2)[C@@H]1C
InChIInChI=1S/C18H26O4Si/c1-13-15(23(4,5)14-9-7-6-8-10-14)11-12-18(13,16(19)21-2)17(20)22-3/h6-10,13,15H,11-12H2,1-5H3/t13-,15-/m0/s1
InChIKeyNXSNOSJJPXSQHG-ZFWWWQNUSA-N
MW334.49 g/mol
LogP2.73
Rot. Bonds4

About trans-dimethyl (2R,3S)-3-[dimethyl(phenyl)silyl]-2-methylcyclopentane-1,1-dicarboxylate

trans-dimethyl (2R,3S)-3-[dimethyl(phenyl)silyl]-2-methylcyclopentane-1,1-dicarboxylate (PubChem CID 102278456) has the molecular formula C18H26O4Si and a molecular weight of 334.49 g/mol. Its IUPAC name is trans-dimethyl (2R,3S)-3-[dimethyl(phenyl)silyl]-2-methylcyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Nametrans-dimethyl (2R,3S)-3-[dimethyl(phenyl)silyl]-2-methylcyclopentane-1,1-dicarboxylate
PubChem CID102278456
Molecular FormulaC18H26O4Si
Molecular Weight334.49 g/mol
Exact Mass334.16
IUPAC Nametrans-dimethyl (2R,3S)-3-[dimethyl(phenyl)silyl]-2-methylcyclopentane-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC[C@H]([Si](C)(C)c2ccccc2)[C@@H]1C
InChIInChI=1S/C18H26O4Si/c1-13-15(23(4,5)14-9-7-6-8-10-14)11-12-18(13,16(19)21-2)17(20)22-3/h6-10,13,15H,11-12H2,1-5H3/t13-,15-/m0/s1
InChIKeyNXSNOSJJPXSQHG-ZFWWWQNUSA-N
XLogP2.73
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (2R,3S)-3-[dimethyl(phenyl)silyl]-2-methylcyclopentane-1,1-dicarboxylate?
The IUPAC name of trans-dimethyl (2R,3S)-3-[dimethyl(phenyl)silyl]-2-methylcyclopentane-1,1-dicarboxylate (CID 102278456) is trans-dimethyl (2R,3S)-3-[dimethyl(phenyl)silyl]-2-methylcyclopentane-1,1-dicarboxylate.
What is the SMILES notation for trans-dimethyl (2R,3S)-3-[dimethyl(phenyl)silyl]-2-methylcyclopentane-1,1-dicarboxylate?
The canonical SMILES for trans-dimethyl (2R,3S)-3-[dimethyl(phenyl)silyl]-2-methylcyclopentane-1,1-dicarboxylate is COC(=O)C1(C(=O)OC)CC[C@H]([Si](C)(C)c2ccccc2)[C@@H]1C.
What is the InChIKey of trans-dimethyl (2R,3S)-3-[dimethyl(phenyl)silyl]-2-methylcyclopentane-1,1-dicarboxylate?
The InChIKey is NXSNOSJJPXSQHG-ZFWWWQNUSA-N. The full InChI is InChI=1S/C18H26O4Si/c1-13-15(23(4,5)14-9-7-6-8-10-14)11-12-18(13,16(19)21-2)17(20)22-3/h6-10,13,15H,11-12H2,1-5H3/t13-,15-/m0/s1.
What are the key properties of trans-dimethyl (2R,3S)-3-[dimethyl(phenyl)silyl]-2-methylcyclopentane-1,1-dicarboxylate?
trans-dimethyl (2R,3S)-3-[dimethyl(phenyl)silyl]-2-methylcyclopentane-1,1-dicarboxylate has a molecular weight of 334.49 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-dimethyl (2R,3S)-3-[dimethyl(phenyl)silyl]-2-methylcyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 102278456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).