dimethyl 2-[1-[dimethyl(phenyl)silyl]cyclohexyl]propanedioate

C19H28O4Si — CID 13299149

IUPACdimethyl 2-[1-[dimethyl(phenyl)silyl]cyclohexyl]propanedioate
SMILESCOC(=O)C(C(=O)OC)C1([Si](C)(C)c2ccccc2)CCCCC1
InChIInChI=1S/C19H28O4Si/c1-22-17(20)16(18(21)23-2)19(13-9-6-10-14-19)24(3,4)15-11-7-5-8-12-15/h5,7-8,11-12,16H,6,9-10,13-14H2,1-4H3
InChIKeyIIQMFNFRWWERQO-UHFFFAOYSA-N
MW348.51 g/mol
LogP3.27
Rot. Bonds5

About dimethyl 2-[1-[dimethyl(phenyl)silyl]cyclohexyl]propanedioate

dimethyl 2-[1-[dimethyl(phenyl)silyl]cyclohexyl]propanedioate (PubChem CID 13299149) has the molecular formula C19H28O4Si and a molecular weight of 348.51 g/mol. Its IUPAC name is dimethyl 2-[1-[dimethyl(phenyl)silyl]cyclohexyl]propanedioate.

Molecular Properties

Compound Namedimethyl 2-[1-[dimethyl(phenyl)silyl]cyclohexyl]propanedioate
PubChem CID13299149
Molecular FormulaC19H28O4Si
Molecular Weight348.51 g/mol
Exact Mass348.18
IUPAC Namedimethyl 2-[1-[dimethyl(phenyl)silyl]cyclohexyl]propanedioate
SMILESCOC(=O)C(C(=O)OC)C1([Si](C)(C)c2ccccc2)CCCCC1
InChIInChI=1S/C19H28O4Si/c1-22-17(20)16(18(21)23-2)19(13-9-6-10-14-19)24(3,4)15-11-7-5-8-12-15/h5,7-8,11-12,16H,6,9-10,13-14H2,1-4H3
InChIKeyIIQMFNFRWWERQO-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
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 dimethyl 2-[1-[dimethyl(phenyl)silyl]cyclohexyl]propanedioate?
The IUPAC name of dimethyl 2-[1-[dimethyl(phenyl)silyl]cyclohexyl]propanedioate (CID 13299149) is dimethyl 2-[1-[dimethyl(phenyl)silyl]cyclohexyl]propanedioate.
What is the SMILES notation for dimethyl 2-[1-[dimethyl(phenyl)silyl]cyclohexyl]propanedioate?
The canonical SMILES for dimethyl 2-[1-[dimethyl(phenyl)silyl]cyclohexyl]propanedioate is COC(=O)C(C(=O)OC)C1([Si](C)(C)c2ccccc2)CCCCC1.
What is the InChIKey of dimethyl 2-[1-[dimethyl(phenyl)silyl]cyclohexyl]propanedioate?
The InChIKey is IIQMFNFRWWERQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O4Si/c1-22-17(20)16(18(21)23-2)19(13-9-6-10-14-19)24(3,4)15-11-7-5-8-12-15/h5,7-8,11-12,16H,6,9-10,13-14H2,1-4H3.
What are the key properties of dimethyl 2-[1-[dimethyl(phenyl)silyl]cyclohexyl]propanedioate?
dimethyl 2-[1-[dimethyl(phenyl)silyl]cyclohexyl]propanedioate has a molecular weight of 348.51 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[1-[dimethyl(phenyl)silyl]cyclohexyl]propanedioate is sourced from PubChem (CID 13299149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).