tetramethyl (4Z)-2,7-dimethylocta-2,4,6-triene-2,3,4,5-tetracarboxylate

C18H24O8 — CID 100993196

IUPACtetramethyl (4Z)-2,7-dimethylocta-2,4,6-triene-2,3,4,5-tetracarboxylate
SMILESCOC(=O)C(=C(C)C)/C(C(=O)OC)=C(/C(=O)OC)C(C(=O)OC)=C(C)C
InChIInChI=1S/C18H24O8/c1-9(2)11(15(19)23-5)13(17(21)25-7)14(18(22)26-8)12(10(3)4)16(20)24-6/h1-8H3/b14-13-
InChIKeyJJWAIJWZPITZLA-YPKPFQOOSA-N
MW368.38 g/mol
LogP1.65
Rot. Bonds6

About tetramethyl (4Z)-2,7-dimethylocta-2,4,6-triene-2,3,4,5-tetracarboxylate

tetramethyl (4Z)-2,7-dimethylocta-2,4,6-triene-2,3,4,5-tetracarboxylate (PubChem CID 100993196) has the molecular formula C18H24O8 and a molecular weight of 368.38 g/mol. Its IUPAC name is tetramethyl (4Z)-2,7-dimethylocta-2,4,6-triene-2,3,4,5-tetracarboxylate.

Molecular Properties

Compound Nametetramethyl (4Z)-2,7-dimethylocta-2,4,6-triene-2,3,4,5-tetracarboxylate
PubChem CID100993196
Molecular FormulaC18H24O8
Molecular Weight368.38 g/mol
Exact Mass368.15
IUPAC Nametetramethyl (4Z)-2,7-dimethylocta-2,4,6-triene-2,3,4,5-tetracarboxylate
SMILESCOC(=O)C(=C(C)C)/C(C(=O)OC)=C(/C(=O)OC)C(C(=O)OC)=C(C)C
InChIInChI=1S/C18H24O8/c1-9(2)11(15(19)23-5)13(17(21)25-7)14(18(22)26-8)12(10(3)4)16(20)24-6/h1-8H3/b14-13-
InChIKeyJJWAIJWZPITZLA-YPKPFQOOSA-N
XLogP1.65
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze tetramethyl (4Z)-2,7-dimethylocta-2,4,6-triene-2,3,4,5-tetracarboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 2-acetyl-3-methylbut-2-enoate;methyl 3-oxobutanoate
CID 163767625
dimethyl oxalate
CID 11120
methyl (2Z)-2-(1-methoxyethylidene)-3-oxopentanoate
CID 58781562
dimethyl 2-(difluoromethylidene)propanedioate
CID 23264341
dimethyl oxalate;hydrochloride
CID 172754902
dimethyl 2-(1-chloropropan-2-ylidene)propanedioate
CID 14714590
CID 87704486
CID 87704486
dimethyl 2,3,4,5-tetramethylhexa-2,4-dienedioate
CID 131887550
ethane;methyl 2-oxopropanoate
CID 142946473
methyl 2-oxopropanoate;hydrate
CID 172759960
trimethyl 2-chloroethene-1,1,2-tricarboxylate
CID 10799846
methyl acetate;ruthenium
CID 160799101

Frequently Asked Questions

What is the IUPAC name of tetramethyl (4Z)-2,7-dimethylocta-2,4,6-triene-2,3,4,5-tetracarboxylate?
The IUPAC name of tetramethyl (4Z)-2,7-dimethylocta-2,4,6-triene-2,3,4,5-tetracarboxylate (CID 100993196) is tetramethyl (4Z)-2,7-dimethylocta-2,4,6-triene-2,3,4,5-tetracarboxylate.
What is the SMILES notation for tetramethyl (4Z)-2,7-dimethylocta-2,4,6-triene-2,3,4,5-tetracarboxylate?
The canonical SMILES for tetramethyl (4Z)-2,7-dimethylocta-2,4,6-triene-2,3,4,5-tetracarboxylate is COC(=O)C(=C(C)C)/C(C(=O)OC)=C(/C(=O)OC)C(C(=O)OC)=C(C)C.
What is the InChIKey of tetramethyl (4Z)-2,7-dimethylocta-2,4,6-triene-2,3,4,5-tetracarboxylate?
The InChIKey is JJWAIJWZPITZLA-YPKPFQOOSA-N. The full InChI is InChI=1S/C18H24O8/c1-9(2)11(15(19)23-5)13(17(21)25-7)14(18(22)26-8)12(10(3)4)16(20)24-6/h1-8H3/b14-13-.
What are the key properties of tetramethyl (4Z)-2,7-dimethylocta-2,4,6-triene-2,3,4,5-tetracarboxylate?
tetramethyl (4Z)-2,7-dimethylocta-2,4,6-triene-2,3,4,5-tetracarboxylate has a molecular weight of 368.38 g/mol, XLogP of 1.65, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethyl (4Z)-2,7-dimethylocta-2,4,6-triene-2,3,4,5-tetracarboxylate is sourced from PubChem (CID 100993196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).