dimethyl 4-tert-butyl-2,6,11,12-tetramethyltricyclo[6.2.2.01,7]dodeca-2,4,6,9,11-pentaene-9,10-dicarboxylate

C24H30O4 — CID 15252540

IUPACdimethyl 4-tert-butyl-2,6,11,12-tetramethyltricyclo[6.2.2.01,7]dodeca-2,4,6,9,11-pentaene-9,10-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C23C(C)=CC(C(C)(C)C)=CC(C)=C2C1C(C)=C3C
InChIInChI=1S/C24H30O4/c1-12-10-16(23(5,6)7)11-13(2)24-15(4)14(3)17(19(12)24)18(21(25)27-8)20(24)22(26)28-9/h10-11,17H,1-9H3
InChIKeyUVDAFWNSMQHZTD-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.84
Rot. Bonds2

About dimethyl 4-tert-butyl-2,6,11,12-tetramethyltricyclo[6.2.2.01,7]dodeca-2,4,6,9,11-pentaene-9,10-dicarboxylate

dimethyl 4-tert-butyl-2,6,11,12-tetramethyltricyclo[6.2.2.01,7]dodeca-2,4,6,9,11-pentaene-9,10-dicarboxylate (PubChem CID 15252540) has the molecular formula C24H30O4 and a molecular weight of 382.50 g/mol. Its IUPAC name is dimethyl 4-tert-butyl-2,6,11,12-tetramethyltricyclo[6.2.2.01,7]dodeca-2,4,6,9,11-pentaene-9,10-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-tert-butyl-2,6,11,12-tetramethyltricyclo[6.2.2.01,7]dodeca-2,4,6,9,11-pentaene-9,10-dicarboxylate
PubChem CID15252540
Molecular FormulaC24H30O4
Molecular Weight382.50 g/mol
Exact Mass382.21
IUPAC Namedimethyl 4-tert-butyl-2,6,11,12-tetramethyltricyclo[6.2.2.01,7]dodeca-2,4,6,9,11-pentaene-9,10-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C23C(C)=CC(C(C)(C)C)=CC(C)=C2C1C(C)=C3C
InChIInChI=1S/C24H30O4/c1-12-10-16(23(5,6)7)11-13(2)24-15(4)14(3)17(19(12)24)18(21(25)27-8)20(24)22(26)28-9/h10-11,17H,1-9H3
InChIKeyUVDAFWNSMQHZTD-UHFFFAOYSA-N
XLogP4.84
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze dimethyl 4-tert-butyl-2,6,11,12-tetramethyltricyclo[6.2.2.01,7]dodeca-2,4,6,9,11-pentaene-9,10-dicarboxylate with MolForge

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Related Compounds

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tert-butyl carbamate;methyl 5-(cyclohexanecarbonyl)-4-methylthiophene-3-carboxylate
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methyl 3-hydroxy-2,6,6-trimethylcyclohexene-1-carboxylate
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methyl 6,6-dimethyl-5,7-dihydro-4H-1-benzothiophene-3-carboxylate
CID 114748196
dimethyl 1-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene-15,16-dicarboxylate
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methyl 5-[1-(2,2-dimethylpropanoyloxy)piperidine-4-carbonyl]-4-methylthiophene-3-carboxylate
CID 174782920
dimethyl 1-(1-iodo-2-methylpropan-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene-15,16-dicarboxylate
CID 102062827
carbon monoxide;dimethyl 5,6,7-trimethyl-7-phosphoniabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate;tungsten
CID 164683782
dimethyl 5-hydroxy-4-oxobicyclo[3.2.2]nona-2,6,8-triene-6,7-dicarboxylate
CID 134859462
methyl 5-oxo-1,2-dihydropyrazole-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of dimethyl 4-tert-butyl-2,6,11,12-tetramethyltricyclo[6.2.2.01,7]dodeca-2,4,6,9,11-pentaene-9,10-dicarboxylate?
The IUPAC name of dimethyl 4-tert-butyl-2,6,11,12-tetramethyltricyclo[6.2.2.01,7]dodeca-2,4,6,9,11-pentaene-9,10-dicarboxylate (CID 15252540) is dimethyl 4-tert-butyl-2,6,11,12-tetramethyltricyclo[6.2.2.01,7]dodeca-2,4,6,9,11-pentaene-9,10-dicarboxylate.
What is the SMILES notation for dimethyl 4-tert-butyl-2,6,11,12-tetramethyltricyclo[6.2.2.01,7]dodeca-2,4,6,9,11-pentaene-9,10-dicarboxylate?
The canonical SMILES for dimethyl 4-tert-butyl-2,6,11,12-tetramethyltricyclo[6.2.2.01,7]dodeca-2,4,6,9,11-pentaene-9,10-dicarboxylate is COC(=O)C1=C(C(=O)OC)C23C(C)=CC(C(C)(C)C)=CC(C)=C2C1C(C)=C3C.
What is the InChIKey of dimethyl 4-tert-butyl-2,6,11,12-tetramethyltricyclo[6.2.2.01,7]dodeca-2,4,6,9,11-pentaene-9,10-dicarboxylate?
The InChIKey is UVDAFWNSMQHZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O4/c1-12-10-16(23(5,6)7)11-13(2)24-15(4)14(3)17(19(12)24)18(21(25)27-8)20(24)22(26)28-9/h10-11,17H,1-9H3.
What are the key properties of dimethyl 4-tert-butyl-2,6,11,12-tetramethyltricyclo[6.2.2.01,7]dodeca-2,4,6,9,11-pentaene-9,10-dicarboxylate?
dimethyl 4-tert-butyl-2,6,11,12-tetramethyltricyclo[6.2.2.01,7]dodeca-2,4,6,9,11-pentaene-9,10-dicarboxylate has a molecular weight of 382.50 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-tert-butyl-2,6,11,12-tetramethyltricyclo[6.2.2.01,7]dodeca-2,4,6,9,11-pentaene-9,10-dicarboxylate is sourced from PubChem (CID 15252540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).