tetramethyl (3E,7E)-deca-3,7-diene-1,1,10,10-tetracarboxylate

C18H26O8 — CID 134979809

IUPACtetramethyl (3E,7E)-deca-3,7-diene-1,1,10,10-tetracarboxylate
SMILESCOC(=O)C(C/C=C/CC/C=C/CC(C(=O)OC)C(=O)OC)C(=O)OC
InChIInChI=1S/C18H26O8/c1-23-15(19)13(16(20)24-2)11-9-7-5-6-8-10-12-14(17(21)25-3)18(22)26-4/h7-10,13-14H,5-6,11-12H2,1-4H3/b9-7+,10-8+
InChIKeyGWQWRHQKSQFXGS-FIFLTTCUSA-N
MW370.40 g/mol
LogP1.58
Rot. Bonds11

About tetramethyl (3E,7E)-deca-3,7-diene-1,1,10,10-tetracarboxylate

tetramethyl (3E,7E)-deca-3,7-diene-1,1,10,10-tetracarboxylate (PubChem CID 134979809) has the molecular formula C18H26O8 and a molecular weight of 370.40 g/mol. Its IUPAC name is tetramethyl (3E,7E)-deca-3,7-diene-1,1,10,10-tetracarboxylate.

Molecular Properties

Compound Nametetramethyl (3E,7E)-deca-3,7-diene-1,1,10,10-tetracarboxylate
PubChem CID134979809
Molecular FormulaC18H26O8
Molecular Weight370.40 g/mol
Exact Mass370.16
IUPAC Nametetramethyl (3E,7E)-deca-3,7-diene-1,1,10,10-tetracarboxylate
SMILESCOC(=O)C(C/C=C/CC/C=C/CC(C(=O)OC)C(=O)OC)C(=O)OC
InChIInChI=1S/C18H26O8/c1-23-15(19)13(16(20)24-2)11-9-7-5-6-8-10-12-14(17(21)25-3)18(22)26-4/h7-10,13-14H,5-6,11-12H2,1-4H3/b9-7+,10-8+
InChIKeyGWQWRHQKSQFXGS-FIFLTTCUSA-N
XLogP1.58
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Diethyl allylmalonate
CID 74900
Dimethyl allylmalonate
CID 574826
Diethyl (3-methylbut-2-enyl)malonate
CID 89748
Diethyl (E)-(3,7-dimethyl-2,6-octadienyl)malonate
CID 6436518
Prop-2-enyl-propanedioic acid dibutyl ester
CID 53662645
2-Hexa-2,4-dienylmalonic acid, dimethyl ester
CID 5368787
Diethyl 2-[(2E)-2-butenyl]malonate
CID 5466541
Dimethyl 2-but-3-en-2-ylpropanedioate
CID 10910248
((E)-But-2-enyl)malonic Acid Dimethyl Ester
CID 11041443
Dimethyl(3,3-dimethylallyl)malonate
CID 11820096
Diethyl 2-[(2E)-2,7-octadienyl]malonate
CID 5466562
dimethyl 2-[(Z)-pent-2-enyl]propanedioate
CID 11367650

Frequently Asked Questions

What is the IUPAC name of tetramethyl (3E,7E)-deca-3,7-diene-1,1,10,10-tetracarboxylate?
The IUPAC name of tetramethyl (3E,7E)-deca-3,7-diene-1,1,10,10-tetracarboxylate (CID 134979809) is tetramethyl (3E,7E)-deca-3,7-diene-1,1,10,10-tetracarboxylate.
What is the SMILES notation for tetramethyl (3E,7E)-deca-3,7-diene-1,1,10,10-tetracarboxylate?
The canonical SMILES for tetramethyl (3E,7E)-deca-3,7-diene-1,1,10,10-tetracarboxylate is COC(=O)C(C/C=C/CC/C=C/CC(C(=O)OC)C(=O)OC)C(=O)OC.
What is the InChIKey of tetramethyl (3E,7E)-deca-3,7-diene-1,1,10,10-tetracarboxylate?
The InChIKey is GWQWRHQKSQFXGS-FIFLTTCUSA-N. The full InChI is InChI=1S/C18H26O8/c1-23-15(19)13(16(20)24-2)11-9-7-5-6-8-10-12-14(17(21)25-3)18(22)26-4/h7-10,13-14H,5-6,11-12H2,1-4H3/b9-7+,10-8+.
What are the key properties of tetramethyl (3E,7E)-deca-3,7-diene-1,1,10,10-tetracarboxylate?
tetramethyl (3E,7E)-deca-3,7-diene-1,1,10,10-tetracarboxylate has a molecular weight of 370.40 g/mol, XLogP of 1.58, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethyl (3E,7E)-deca-3,7-diene-1,1,10,10-tetracarboxylate is sourced from PubChem (CID 134979809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).