dimethyl (5E)-3-methyl-4-methylidene-5-(trimethylsilylmethylidene)cyclohexane-1,1-dicarboxylate

C16H26O4Si — CID 134981887

IUPACdimethyl (5E)-3-methyl-4-methylidene-5-(trimethylsilylmethylidene)cyclohexane-1,1-dicarboxylate
SMILESC=C1/C(=C/[Si](C)(C)C)CC(C(=O)OC)(C(=O)OC)CC1C
InChIInChI=1S/C16H26O4Si/c1-11-8-16(14(17)19-3,15(18)20-4)9-13(12(11)2)10-21(5,6)7/h10-11H,2,8-9H2,1,3-7H3/b13-10+
InChIKeySBYWJJFNXSVIHZ-JLHYYAGUSA-N
MW310.47 g/mol
LogP3.11
Rot. Bonds3

About dimethyl (5E)-3-methyl-4-methylidene-5-(trimethylsilylmethylidene)cyclohexane-1,1-dicarboxylate

dimethyl (5E)-3-methyl-4-methylidene-5-(trimethylsilylmethylidene)cyclohexane-1,1-dicarboxylate (PubChem CID 134981887) has the molecular formula C16H26O4Si and a molecular weight of 310.47 g/mol. Its IUPAC name is dimethyl (5E)-3-methyl-4-methylidene-5-(trimethylsilylmethylidene)cyclohexane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl (5E)-3-methyl-4-methylidene-5-(trimethylsilylmethylidene)cyclohexane-1,1-dicarboxylate
PubChem CID134981887
Molecular FormulaC16H26O4Si
Molecular Weight310.47 g/mol
Exact Mass310.16
IUPAC Namedimethyl (5E)-3-methyl-4-methylidene-5-(trimethylsilylmethylidene)cyclohexane-1,1-dicarboxylate
SMILESC=C1/C(=C/[Si](C)(C)C)CC(C(=O)OC)(C(=O)OC)CC1C
InChIInChI=1S/C16H26O4Si/c1-11-8-16(14(17)19-3,15(18)20-4)9-13(12(11)2)10-21(5,6)7/h10-11H,2,8-9H2,1,3-7H3/b13-10+
InChIKeySBYWJJFNXSVIHZ-JLHYYAGUSA-N
XLogP3.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 53.11
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 (5E)-3-methyl-4-methylidene-5-(trimethylsilylmethylidene)cyclohexane-1,1-dicarboxylate?
The IUPAC name of dimethyl (5E)-3-methyl-4-methylidene-5-(trimethylsilylmethylidene)cyclohexane-1,1-dicarboxylate (CID 134981887) is dimethyl (5E)-3-methyl-4-methylidene-5-(trimethylsilylmethylidene)cyclohexane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl (5E)-3-methyl-4-methylidene-5-(trimethylsilylmethylidene)cyclohexane-1,1-dicarboxylate?
The canonical SMILES for dimethyl (5E)-3-methyl-4-methylidene-5-(trimethylsilylmethylidene)cyclohexane-1,1-dicarboxylate is C=C1/C(=C/[Si](C)(C)C)CC(C(=O)OC)(C(=O)OC)CC1C.
What is the InChIKey of dimethyl (5E)-3-methyl-4-methylidene-5-(trimethylsilylmethylidene)cyclohexane-1,1-dicarboxylate?
The InChIKey is SBYWJJFNXSVIHZ-JLHYYAGUSA-N. The full InChI is InChI=1S/C16H26O4Si/c1-11-8-16(14(17)19-3,15(18)20-4)9-13(12(11)2)10-21(5,6)7/h10-11H,2,8-9H2,1,3-7H3/b13-10+.
What are the key properties of dimethyl (5E)-3-methyl-4-methylidene-5-(trimethylsilylmethylidene)cyclohexane-1,1-dicarboxylate?
dimethyl (5E)-3-methyl-4-methylidene-5-(trimethylsilylmethylidene)cyclohexane-1,1-dicarboxylate has a molecular weight of 310.47 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (5E)-3-methyl-4-methylidene-5-(trimethylsilylmethylidene)cyclohexane-1,1-dicarboxylate is sourced from PubChem (CID 134981887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).