cis-dimethyl (3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate

C19H28O4Si — CID 11783022

IUPACcis-dimethyl (3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)C[C@@H](C[Si](C)(C)c2ccccc2)[C@H](C)C1
InChIInChI=1S/C19H28O4Si/c1-14-11-19(17(20)22-2,18(21)23-3)12-15(14)13-24(4,5)16-9-7-6-8-10-16/h6-10,14-15H,11-13H2,1-5H3/t14-,15+/m1/s1
InChIKeyOJKLNRBDWYACTF-CABCVRRESA-N
MW348.51 g/mol
LogP2.98
Rot. Bonds5

About cis-dimethyl (3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate

cis-dimethyl (3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate (PubChem CID 11783022) has the molecular formula C19H28O4Si and a molecular weight of 348.51 g/mol. Its IUPAC name is cis-dimethyl (3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namecis-dimethyl (3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate
PubChem CID11783022
Molecular FormulaC19H28O4Si
Molecular Weight348.51 g/mol
Exact Mass348.18
IUPAC Namecis-dimethyl (3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)C[C@@H](C[Si](C)(C)c2ccccc2)[C@H](C)C1
InChIInChI=1S/C19H28O4Si/c1-14-11-19(17(20)22-2,18(21)23-3)12-15(14)13-24(4,5)16-9-7-6-8-10-16/h6-10,14-15H,11-13H2,1-5H3/t14-,15+/m1/s1
InChIKeyOJKLNRBDWYACTF-CABCVRRESA-N
XLogP2.98
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 52.98
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 cis-dimethyl (3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate?
The IUPAC name of cis-dimethyl (3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate (CID 11783022) is cis-dimethyl (3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate.
What is the SMILES notation for cis-dimethyl (3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate?
The canonical SMILES for cis-dimethyl (3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate is COC(=O)C1(C(=O)OC)C[C@@H](C[Si](C)(C)c2ccccc2)[C@H](C)C1.
What is the InChIKey of cis-dimethyl (3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate?
The InChIKey is OJKLNRBDWYACTF-CABCVRRESA-N. The full InChI is InChI=1S/C19H28O4Si/c1-14-11-19(17(20)22-2,18(21)23-3)12-15(14)13-24(4,5)16-9-7-6-8-10-16/h6-10,14-15H,11-13H2,1-5H3/t14-,15+/m1/s1.
What are the key properties of cis-dimethyl (3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate?
cis-dimethyl (3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate has a molecular weight of 348.51 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-dimethyl (3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 11783022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).