dimethyl (2Z,5Z)-2,5-bis(dimethylaminomethylidene)hexanedioate

C14H24N2O4 — CID 177404610

IUPACdimethyl (2Z,5Z)-2,5-bis(dimethylaminomethylidene)hexanedioate
SMILESCOC(=O)/C(=C\N(C)C)CC/C(=C/N(C)C)C(=O)OC
InChIInChI=1S/C14H24N2O4/c1-15(2)9-11(13(17)19-5)7-8-12(10-16(3)4)14(18)20-6/h9-10H,7-8H2,1-6H3/b11-9-,12-10-
InChIKeyLMNGRSXVEDQNHF-HWAYABPNSA-N
MW284.36 g/mol
LogP1.00
Rot. Bonds7

About dimethyl (2Z,5Z)-2,5-bis(dimethylaminomethylidene)hexanedioate

dimethyl (2Z,5Z)-2,5-bis(dimethylaminomethylidene)hexanedioate (PubChem CID 177404610) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is dimethyl (2Z,5Z)-2,5-bis(dimethylaminomethylidene)hexanedioate.

Molecular Properties

Compound Namedimethyl (2Z,5Z)-2,5-bis(dimethylaminomethylidene)hexanedioate
PubChem CID177404610
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Namedimethyl (2Z,5Z)-2,5-bis(dimethylaminomethylidene)hexanedioate
SMILESCOC(=O)/C(=C\N(C)C)CC/C(=C/N(C)C)C(=O)OC
InChIInChI=1S/C14H24N2O4/c1-15(2)9-11(13(17)19-5)7-8-12(10-16(3)4)14(18)20-6/h9-10H,7-8H2,1-6H3/b11-9-,12-10-
InChIKeyLMNGRSXVEDQNHF-HWAYABPNSA-N
XLogP1.00
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl (2Z)-2-(dimethylaminomethylidene)butanoate
CID 118430664
methyl 2-(dimethylaminomethylidene)-3-oxobutanoate
CID 53395488
(Z)-5-(dimethylamino)-4-methoxycarbonyl-3-oxopent-4-enoic acid
CID 175545207
dimethyl 2-(bromomethyl)but-2-enedioate
CID 54512079
methyl 2-(hydroxymethylidene)-5-oxohexanoate
CID 59876412
dimethyl (2E,3E)-2-(dimethylaminomethylidene)-3-(2-oxopentylidene)butanedioate
CID 135072895
methyl (2E,4E)-5-(dimethylamino)-2-ethylpenta-2,4-dienoate
CID 6385627
methyl (E)-2-cyano-3-(dimethylamino)prop-2-enoate
CID 2732123
methyl (E)-2-dimethoxyphosphoryl-3-(dimethylamino)prop-2-enoate
CID 100981050
methyl (2E)-2-(dimethylaminomethylidene)-4-methyl-3-oxopentanoate
CID 75481592
dimethyl (2E)-2-(bromomethylidene)pentanedioate
CID 11776917
methyl (Z)-2-cyano-3-(dimethylamino)prop-2-enoate
CID 6925004

Frequently Asked Questions

What is the IUPAC name of dimethyl (2Z,5Z)-2,5-bis(dimethylaminomethylidene)hexanedioate?
The IUPAC name of dimethyl (2Z,5Z)-2,5-bis(dimethylaminomethylidene)hexanedioate (CID 177404610) is dimethyl (2Z,5Z)-2,5-bis(dimethylaminomethylidene)hexanedioate.
What is the SMILES notation for dimethyl (2Z,5Z)-2,5-bis(dimethylaminomethylidene)hexanedioate?
The canonical SMILES for dimethyl (2Z,5Z)-2,5-bis(dimethylaminomethylidene)hexanedioate is COC(=O)/C(=C\N(C)C)CC/C(=C/N(C)C)C(=O)OC.
What is the InChIKey of dimethyl (2Z,5Z)-2,5-bis(dimethylaminomethylidene)hexanedioate?
The InChIKey is LMNGRSXVEDQNHF-HWAYABPNSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-15(2)9-11(13(17)19-5)7-8-12(10-16(3)4)14(18)20-6/h9-10H,7-8H2,1-6H3/b11-9-,12-10-.
What are the key properties of dimethyl (2Z,5Z)-2,5-bis(dimethylaminomethylidene)hexanedioate?
dimethyl (2Z,5Z)-2,5-bis(dimethylaminomethylidene)hexanedioate has a molecular weight of 284.36 g/mol, XLogP of 1.00, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2Z,5Z)-2,5-bis(dimethylaminomethylidene)hexanedioate is sourced from PubChem (CID 177404610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).