dimethyl (3Z)-2-(2-cyclohexylethyl)-3-(trimethylsilylmethylidene)butanedioate

C18H32O4Si — CID 134866448

IUPACdimethyl (3Z)-2-(2-cyclohexylethyl)-3-(trimethylsilylmethylidene)butanedioate
SMILESCOC(=O)/C(=C\[Si](C)(C)C)C(CCC1CCCCC1)C(=O)OC
InChIInChI=1S/C18H32O4Si/c1-21-17(19)15(12-11-14-9-7-6-8-10-14)16(18(20)22-2)13-23(3,4)5/h13-15H,6-12H2,1-5H3/b16-13-
InChIKeyKFSUVFGGKUHWKY-SSZFMOIBSA-N
MW340.54 g/mol
LogP4.11
Rot. Bonds7

About dimethyl (3Z)-2-(2-cyclohexylethyl)-3-(trimethylsilylmethylidene)butanedioate

dimethyl (3Z)-2-(2-cyclohexylethyl)-3-(trimethylsilylmethylidene)butanedioate (PubChem CID 134866448) has the molecular formula C18H32O4Si and a molecular weight of 340.54 g/mol. Its IUPAC name is dimethyl (3Z)-2-(2-cyclohexylethyl)-3-(trimethylsilylmethylidene)butanedioate.

Molecular Properties

Compound Namedimethyl (3Z)-2-(2-cyclohexylethyl)-3-(trimethylsilylmethylidene)butanedioate
PubChem CID134866448
Molecular FormulaC18H32O4Si
Molecular Weight340.54 g/mol
Exact Mass340.21
IUPAC Namedimethyl (3Z)-2-(2-cyclohexylethyl)-3-(trimethylsilylmethylidene)butanedioate
SMILESCOC(=O)/C(=C\[Si](C)(C)C)C(CCC1CCCCC1)C(=O)OC
InChIInChI=1S/C18H32O4Si/c1-21-17(19)15(12-11-14-9-7-6-8-10-14)16(18(20)22-2)13-23(3,4)5/h13-15H,6-12H2,1-5H3/b16-13-
InChIKeyKFSUVFGGKUHWKY-SSZFMOIBSA-N
XLogP4.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.54
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze dimethyl (3Z)-2-(2-cyclohexylethyl)-3-(trimethylsilylmethylidene)butanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl (3Z)-2-(2-cyclohexylethyl)-3-(trimethylsilylmethylidene)butanedioate?
The IUPAC name of dimethyl (3Z)-2-(2-cyclohexylethyl)-3-(trimethylsilylmethylidene)butanedioate (CID 134866448) is dimethyl (3Z)-2-(2-cyclohexylethyl)-3-(trimethylsilylmethylidene)butanedioate.
What is the SMILES notation for dimethyl (3Z)-2-(2-cyclohexylethyl)-3-(trimethylsilylmethylidene)butanedioate?
The canonical SMILES for dimethyl (3Z)-2-(2-cyclohexylethyl)-3-(trimethylsilylmethylidene)butanedioate is COC(=O)/C(=C\[Si](C)(C)C)C(CCC1CCCCC1)C(=O)OC.
What is the InChIKey of dimethyl (3Z)-2-(2-cyclohexylethyl)-3-(trimethylsilylmethylidene)butanedioate?
The InChIKey is KFSUVFGGKUHWKY-SSZFMOIBSA-N. The full InChI is InChI=1S/C18H32O4Si/c1-21-17(19)15(12-11-14-9-7-6-8-10-14)16(18(20)22-2)13-23(3,4)5/h13-15H,6-12H2,1-5H3/b16-13-.
What are the key properties of dimethyl (3Z)-2-(2-cyclohexylethyl)-3-(trimethylsilylmethylidene)butanedioate?
dimethyl (3Z)-2-(2-cyclohexylethyl)-3-(trimethylsilylmethylidene)butanedioate has a molecular weight of 340.54 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (3Z)-2-(2-cyclohexylethyl)-3-(trimethylsilylmethylidene)butanedioate is sourced from PubChem (CID 134866448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).