dimethyl (1S,4R,7R)-1,6,7-trimethyl-5-propan-2-yl-7-trimethylsilylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate

C20H32O4Si — CID 102216592

IUPACdimethyl (1S,4R,7R)-1,6,7-trimethyl-5-propan-2-yl-7-trimethylsilylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)[C@]2(C)C(C)=C(C(C)C)[C@H]1[C@@]2(C)[Si](C)(C)C
InChIInChI=1S/C20H32O4Si/c1-11(2)13-12(3)19(4)16(18(22)24-7)14(17(21)23-6)15(13)20(19,5)25(8,9)10/h11,15H,1-10H3/t15-,19+,20-/m1/s1
InChIKeyOLGDKXCXVZGCNS-UIAACRFSSA-N
MW364.56 g/mol
LogP4.35
Rot. Bonds4

About dimethyl (1S,4R,7R)-1,6,7-trimethyl-5-propan-2-yl-7-trimethylsilylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate

dimethyl (1S,4R,7R)-1,6,7-trimethyl-5-propan-2-yl-7-trimethylsilylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate (PubChem CID 102216592) has the molecular formula C20H32O4Si and a molecular weight of 364.56 g/mol. Its IUPAC name is dimethyl (1S,4R,7R)-1,6,7-trimethyl-5-propan-2-yl-7-trimethylsilylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl (1S,4R,7R)-1,6,7-trimethyl-5-propan-2-yl-7-trimethylsilylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
PubChem CID102216592
Molecular FormulaC20H32O4Si
Molecular Weight364.56 g/mol
Exact Mass364.21
IUPAC Namedimethyl (1S,4R,7R)-1,6,7-trimethyl-5-propan-2-yl-7-trimethylsilylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)[C@]2(C)C(C)=C(C(C)C)[C@H]1[C@@]2(C)[Si](C)(C)C
InChIInChI=1S/C20H32O4Si/c1-11(2)13-12(3)19(4)16(18(22)24-7)14(17(21)23-6)15(13)20(19,5)25(8,9)10/h11,15H,1-10H3/t15-,19+,20-/m1/s1
InChIKeyOLGDKXCXVZGCNS-UIAACRFSSA-N
XLogP4.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 54.35
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'}

Analyze dimethyl (1S,4R,7R)-1,6,7-trimethyl-5-propan-2-yl-7-trimethylsilylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate with MolForge

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Launch Full Analysis

Related Compounds

Methyl 2,4,4-trimethyl-5-(4-trimethylsilylbut-3-ynyl)cyclopentene-1-carboxylate
CID 102134105
2,5,5,8a-Tetramethyl-3-oxo-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid, 2-trimethylsilylethyl ester
CID 553423
Tetramethyl 4-tributylsilyl-1,3,4,7-tetrahydroindene-2,2,5,6-tetracarboxylate
CID 11038929
2-Trimethylsilylpropyl bicyclo[2.2.1]hept-1-ene-2-carboxylate
CID 69775028
Bis(2-methylpropyl) 7,7-dimethylbicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate
CID 70925848
Dimethyl 7,7-dimethylbicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate
CID 70926063
Methyl 3,3,4,4-tetra(cyclododecyl)-2-[di(cyclododecyl)methylidene]butanoate
CID 88245651
Dibutyl 7,7-dimethylbicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate
CID 123449221
Dioctyl 7,7-dimethylbicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate
CID 123460824
Dipropyl 7,7-dimethylbicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate
CID 123462812
dimethyl 3-[(6E)-7,11-dimethyl-3-methylidenedodeca-6,10-dienyl]-4-(2,2-dimethylpentan-3-yl)cyclohexene-1,2-dicarboxylate
CID 138726077
Bis(2-methylpropyl) 1,7,7-trimethylbicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate
CID 141179960

Frequently Asked Questions

What is the IUPAC name of dimethyl (1S,4R,7R)-1,6,7-trimethyl-5-propan-2-yl-7-trimethylsilylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate?
The IUPAC name of dimethyl (1S,4R,7R)-1,6,7-trimethyl-5-propan-2-yl-7-trimethylsilylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate (CID 102216592) is dimethyl (1S,4R,7R)-1,6,7-trimethyl-5-propan-2-yl-7-trimethylsilylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate.
What is the SMILES notation for dimethyl (1S,4R,7R)-1,6,7-trimethyl-5-propan-2-yl-7-trimethylsilylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate?
The canonical SMILES for dimethyl (1S,4R,7R)-1,6,7-trimethyl-5-propan-2-yl-7-trimethylsilylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate is COC(=O)C1=C(C(=O)OC)[C@]2(C)C(C)=C(C(C)C)[C@H]1[C@@]2(C)[Si](C)(C)C.
What is the InChIKey of dimethyl (1S,4R,7R)-1,6,7-trimethyl-5-propan-2-yl-7-trimethylsilylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate?
The InChIKey is OLGDKXCXVZGCNS-UIAACRFSSA-N. The full InChI is InChI=1S/C20H32O4Si/c1-11(2)13-12(3)19(4)16(18(22)24-7)14(17(21)23-6)15(13)20(19,5)25(8,9)10/h11,15H,1-10H3/t15-,19+,20-/m1/s1.
What are the key properties of dimethyl (1S,4R,7R)-1,6,7-trimethyl-5-propan-2-yl-7-trimethylsilylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate?
dimethyl (1S,4R,7R)-1,6,7-trimethyl-5-propan-2-yl-7-trimethylsilylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate has a molecular weight of 364.56 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (1S,4R,7R)-1,6,7-trimethyl-5-propan-2-yl-7-trimethylsilylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate is sourced from PubChem (CID 102216592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).