tetramethyl nona-7,8-diene-1,1,5,5-tetracarboxylate

C17H24O8 — CID 135072670

IUPACtetramethyl nona-7,8-diene-1,1,5,5-tetracarboxylate
SMILESC=C=CCC(CCCC(C(=O)OC)C(=O)OC)(C(=O)OC)C(=O)OC
InChIInChI=1S/C17H24O8/c1-6-7-10-17(15(20)24-4,16(21)25-5)11-8-9-12(13(18)22-2)14(19)23-3/h7,12H,1,8-11H2,2-5H3
InChIKeyDZUVREFIBIECMJ-UHFFFAOYSA-N
MW356.37 g/mol
LogP1.18
Rot. Bonds10

About tetramethyl nona-7,8-diene-1,1,5,5-tetracarboxylate

tetramethyl nona-7,8-diene-1,1,5,5-tetracarboxylate (PubChem CID 135072670) has the molecular formula C17H24O8 and a molecular weight of 356.37 g/mol. Its IUPAC name is tetramethyl nona-7,8-diene-1,1,5,5-tetracarboxylate.

Molecular Properties

Compound Nametetramethyl nona-7,8-diene-1,1,5,5-tetracarboxylate
PubChem CID135072670
Molecular FormulaC17H24O8
Molecular Weight356.37 g/mol
Exact Mass356.15
IUPAC Nametetramethyl nona-7,8-diene-1,1,5,5-tetracarboxylate
SMILESC=C=CCC(CCCC(C(=O)OC)C(=O)OC)(C(=O)OC)C(=O)OC
InChIInChI=1S/C17H24O8/c1-6-7-10-17(15(20)24-4,16(21)25-5)11-8-9-12(13(18)22-2)14(19)23-3/h7,12H,1,8-11H2,2-5H3
InChIKeyDZUVREFIBIECMJ-UHFFFAOYSA-N
XLogP1.18
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 2-buta-2,3-dienyl-2-[[2-[3-methoxy-2-methoxycarbonyl-2-[[2-[3-methoxy-2-methoxycarbonyl-2-[[2-(3-methoxy-2-methoxycarbonyl-3-oxopropyl)phenyl]methyl]-3-oxopropyl]phenyl]methyl]-3-oxopropyl]phenyl]methyl]propanedioate
CID 102496440
dimethyl 2-(3-propa-1,2-dienoxypropyl)propanedioate
CID 15437509
tetramethyl pentane-1,1,5,5-tetracarboxylate
CID 2266639
dimethyl 2-buta-2,3-dienyl-2-[(4-hydroxyphenyl)methyl]propanedioate
CID 72792522
dimethyl 2,2-bis(3-aminopropyl)propanedioate;dihydrochloride
CID 22364631
dimethyl 2-(3-methylbutyl)-2-(4-methylpentyl)propanedioate
CID 139692191
dimethyl 2-(4-methylpentyl)-2-(2-methylpropyl)propanedioate
CID 139692173
dimethyl 2-dodecylpropanedioate
CID 158514957
buta-2,3-dienyl methyl carbonate
CID 10855467
dimethyl 2-[(E)-pent-2-enyl]-2-pent-4-enylpropanedioate
CID 132916406
6,6,6-trifluoro-2-methoxycarbonylhexanoic acid
CID 103973338
dimethyl 2-buta-2,3-dienyl-2-[(1-methylindol-2-yl)methyl]propanedioate
CID 101403424

Frequently Asked Questions

What is the IUPAC name of tetramethyl nona-7,8-diene-1,1,5,5-tetracarboxylate?
The IUPAC name of tetramethyl nona-7,8-diene-1,1,5,5-tetracarboxylate (CID 135072670) is tetramethyl nona-7,8-diene-1,1,5,5-tetracarboxylate.
What is the SMILES notation for tetramethyl nona-7,8-diene-1,1,5,5-tetracarboxylate?
The canonical SMILES for tetramethyl nona-7,8-diene-1,1,5,5-tetracarboxylate is C=C=CCC(CCCC(C(=O)OC)C(=O)OC)(C(=O)OC)C(=O)OC.
What is the InChIKey of tetramethyl nona-7,8-diene-1,1,5,5-tetracarboxylate?
The InChIKey is DZUVREFIBIECMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O8/c1-6-7-10-17(15(20)24-4,16(21)25-5)11-8-9-12(13(18)22-2)14(19)23-3/h7,12H,1,8-11H2,2-5H3.
What are the key properties of tetramethyl nona-7,8-diene-1,1,5,5-tetracarboxylate?
tetramethyl nona-7,8-diene-1,1,5,5-tetracarboxylate has a molecular weight of 356.37 g/mol, XLogP of 1.18, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethyl nona-7,8-diene-1,1,5,5-tetracarboxylate is sourced from PubChem (CID 135072670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).