dimethyl 4-(trimethylsilylmethyl)cyclohexa-1,4-diene-1,2-dicarboxylate

C14H22O4Si — CID 12563480

IUPACdimethyl 4-(trimethylsilylmethyl)cyclohexa-1,4-diene-1,2-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)CC(C[Si](C)(C)C)=CC1
InChIInChI=1S/C14H22O4Si/c1-17-13(15)11-7-6-10(9-19(3,4)5)8-12(11)14(16)18-2/h6H,7-9H2,1-5H3
InChIKeyHLMZQSCVLSAHAU-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.69
Rot. Bonds4

About dimethyl 4-(trimethylsilylmethyl)cyclohexa-1,4-diene-1,2-dicarboxylate

dimethyl 4-(trimethylsilylmethyl)cyclohexa-1,4-diene-1,2-dicarboxylate (PubChem CID 12563480) has the molecular formula C14H22O4Si and a molecular weight of 282.41 g/mol. Its IUPAC name is dimethyl 4-(trimethylsilylmethyl)cyclohexa-1,4-diene-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-(trimethylsilylmethyl)cyclohexa-1,4-diene-1,2-dicarboxylate
PubChem CID12563480
Molecular FormulaC14H22O4Si
Molecular Weight282.41 g/mol
Exact Mass282.13
IUPAC Namedimethyl 4-(trimethylsilylmethyl)cyclohexa-1,4-diene-1,2-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)CC(C[Si](C)(C)C)=CC1
InChIInChI=1S/C14H22O4Si/c1-17-13(15)11-7-6-10(9-19(3,4)5)8-12(11)14(16)18-2/h6H,7-9H2,1-5H3
InChIKeyHLMZQSCVLSAHAU-UHFFFAOYSA-N
XLogP2.69
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E/Z)-2-Propyl-2-pentenoic Acid Methyl Ester
CID 10241045
Dimethyl 4,5-dimethyl-1,4-cyclohexadiene-1,2-dicarboxylate
CID 600973
methyl (2Z)-7-methyl-3-(trimethylsilylmethyl)octa-2,6-dienoate
CID 11010538
diethyl (E)-5-methylidene-3-trimethylsilylhex-2-enedioate
CID 101412878
1-O-ethyl 6-O-methyl (E)-3-methylhex-2-enedioate
CID 134916517
dimethyl (E)-3-methylhex-2-enedioate
CID 134916664
dimethyl (2Z)-2-propyl-2-butenedioate
CID 11769238
dimethyl (E)-2-propylbut-2-enedioate
CID 13122840
methyl (E,3S)-4-methyl-3-trimethylsilylhex-4-enoate
CID 9990830
Methyl 4-[tri(propan-2-yl)silylmethyl]cyclobutene-1-carboxylate
CID 10967995
methyl (E)-7-[tert-butyl(dimethyl)silyl]-7-oxohept-2-enoate
CID 11119163
methyl (2Z)-2-methyl-3-trimethylsilylocta-2,7-dienoate
CID 101207969

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-(trimethylsilylmethyl)cyclohexa-1,4-diene-1,2-dicarboxylate?
The IUPAC name of dimethyl 4-(trimethylsilylmethyl)cyclohexa-1,4-diene-1,2-dicarboxylate (CID 12563480) is dimethyl 4-(trimethylsilylmethyl)cyclohexa-1,4-diene-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 4-(trimethylsilylmethyl)cyclohexa-1,4-diene-1,2-dicarboxylate?
The canonical SMILES for dimethyl 4-(trimethylsilylmethyl)cyclohexa-1,4-diene-1,2-dicarboxylate is COC(=O)C1=C(C(=O)OC)CC(C[Si](C)(C)C)=CC1.
What is the InChIKey of dimethyl 4-(trimethylsilylmethyl)cyclohexa-1,4-diene-1,2-dicarboxylate?
The InChIKey is HLMZQSCVLSAHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4Si/c1-17-13(15)11-7-6-10(9-19(3,4)5)8-12(11)14(16)18-2/h6H,7-9H2,1-5H3.
What are the key properties of dimethyl 4-(trimethylsilylmethyl)cyclohexa-1,4-diene-1,2-dicarboxylate?
dimethyl 4-(trimethylsilylmethyl)cyclohexa-1,4-diene-1,2-dicarboxylate has a molecular weight of 282.41 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-(trimethylsilylmethyl)cyclohexa-1,4-diene-1,2-dicarboxylate is sourced from PubChem (CID 12563480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).