cis-methyl (3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methyl-1-phenylcyclopentane-1-carboxylate

C23H30O2Si — CID 10832748

IUPACcis-methyl (3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methyl-1-phenylcyclopentane-1-carboxylate
SMILESCOC(=O)C1(c2ccccc2)C[C@@H](C[Si](C)(C)c2ccccc2)[C@H](C)C1
InChIInChI=1S/C23H30O2Si/c1-18-15-23(22(24)25-2,20-11-7-5-8-12-20)16-19(18)17-26(3,4)21-13-9-6-10-14-21/h5-14,18-19H,15-17H2,1-4H3/t18-,19+,23?/m1/s1
InChIKeyOSKIZRZHDLTOOU-BEWYTNLXSA-N
MW366.58 g/mol
LogP4.76
Rot. Bonds5

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

cis-methyl (3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methyl-1-phenylcyclopentane-1-carboxylate (PubChem CID 10832748) has the molecular formula C23H30O2Si and a molecular weight of 366.58 g/mol. Its IUPAC name is cis-methyl (3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methyl-1-phenylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methyl-1-phenylcyclopentane-1-carboxylate
PubChem CID10832748
Molecular FormulaC23H30O2Si
Molecular Weight366.58 g/mol
Exact Mass366.20
IUPAC Namecis-methyl (3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methyl-1-phenylcyclopentane-1-carboxylate
SMILESCOC(=O)C1(c2ccccc2)C[C@@H](C[Si](C)(C)c2ccccc2)[C@H](C)C1
InChIInChI=1S/C23H30O2Si/c1-18-15-23(22(24)25-2,20-11-7-5-8-12-20)16-19(18)17-26(3,4)21-13-9-6-10-14-21/h5-14,18-19H,15-17H2,1-4H3/t18-,19+,23?/m1/s1
InChIKeyOSKIZRZHDLTOOU-BEWYTNLXSA-N
XLogP4.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.58
LogP ≤ 54.76
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 cis-methyl (3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methyl-1-phenylcyclopentane-1-carboxylate?
The IUPAC name of cis-methyl (3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methyl-1-phenylcyclopentane-1-carboxylate (CID 10832748) is cis-methyl (3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methyl-1-phenylcyclopentane-1-carboxylate.
What is the SMILES notation for cis-methyl (3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methyl-1-phenylcyclopentane-1-carboxylate?
The canonical SMILES for cis-methyl (3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methyl-1-phenylcyclopentane-1-carboxylate is COC(=O)C1(c2ccccc2)C[C@@H](C[Si](C)(C)c2ccccc2)[C@H](C)C1.
What is the InChIKey of cis-methyl (3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methyl-1-phenylcyclopentane-1-carboxylate?
The InChIKey is OSKIZRZHDLTOOU-BEWYTNLXSA-N. The full InChI is InChI=1S/C23H30O2Si/c1-18-15-23(22(24)25-2,20-11-7-5-8-12-20)16-19(18)17-26(3,4)21-13-9-6-10-14-21/h5-14,18-19H,15-17H2,1-4H3/t18-,19+,23?/m1/s1.
What are the key properties of cis-methyl (3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methyl-1-phenylcyclopentane-1-carboxylate?
cis-methyl (3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methyl-1-phenylcyclopentane-1-carboxylate has a molecular weight of 366.58 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methyl-1-phenylcyclopentane-1-carboxylate is sourced from PubChem (CID 10832748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).