diethyl 2-[(Z)-4-methyl-2-methylidenehex-4-enyl]propanedioate

C15H24O4 — CID 11391525

IUPACdiethyl 2-[(Z)-4-methyl-2-methylidenehex-4-enyl]propanedioate
SMILESC=C(C/C(C)=C\C)CC(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C15H24O4/c1-6-11(4)9-12(5)10-13(14(16)18-7-2)15(17)19-8-3/h6,13H,5,7-10H2,1-4H3/b11-6-
InChIKeyTYUFWLATFBRKRD-WDZFZDKYSA-N
MW268.35 g/mol
LogP3.03
Rot. Bonds8

About diethyl 2-[(Z)-4-methyl-2-methylidenehex-4-enyl]propanedioate

diethyl 2-[(Z)-4-methyl-2-methylidenehex-4-enyl]propanedioate (PubChem CID 11391525) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is diethyl 2-[(Z)-4-methyl-2-methylidenehex-4-enyl]propanedioate.

Molecular Properties

Compound Namediethyl 2-[(Z)-4-methyl-2-methylidenehex-4-enyl]propanedioate
PubChem CID11391525
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Namediethyl 2-[(Z)-4-methyl-2-methylidenehex-4-enyl]propanedioate
SMILESC=C(C/C(C)=C\C)CC(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C15H24O4/c1-6-11(4)9-12(5)10-13(14(16)18-7-2)15(17)19-8-3/h6,13H,5,7-10H2,1-4H3/b11-6-
InChIKeyTYUFWLATFBRKRD-WDZFZDKYSA-N
XLogP3.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

diethyl 2-(4,5-dimethyl-2-methylidenehex-4-enyl)propanedioate
CID 12023810
dimethyl 2-[(E)-2-methylbut-2-enyl]propanedioate
CID 12754391
triethyl pent-3-ene-1,1,3-tricarboxylate
CID 71335768
diethyl 2-(2-oxopentyl)propanedioate
CID 141107198
3-methyl-5-methylidenenon-2-ene
CID 86209707
tetraethyl (1,3-13C2)propane-1,1,3,3-tetracarboxylate
CID 76973343
1-O-ethyl 3-O-(5-methylhexa-1,5-dien-3-yl) 2-ethylpropanedioate
CID 174742895
ethyl (2R)-2-amino-4-methylpent-4-enoate
CID 14163093
butane;diethyl 2-prop-2-enylpropanedioate
CID 129080422
diethyl 2-(iodomethyl)propanedioate
CID 71339629
ethyl (E)-2-[acetyl(methoxy)amino]-4-methylhex-4-enoate
CID 102365981
1-O-ethyl 3-O-methyl (2S)-2-ethylpropanedioate
CID 34173637

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[(Z)-4-methyl-2-methylidenehex-4-enyl]propanedioate?
The IUPAC name of diethyl 2-[(Z)-4-methyl-2-methylidenehex-4-enyl]propanedioate (CID 11391525) is diethyl 2-[(Z)-4-methyl-2-methylidenehex-4-enyl]propanedioate.
What is the SMILES notation for diethyl 2-[(Z)-4-methyl-2-methylidenehex-4-enyl]propanedioate?
The canonical SMILES for diethyl 2-[(Z)-4-methyl-2-methylidenehex-4-enyl]propanedioate is C=C(C/C(C)=C\C)CC(C(=O)OCC)C(=O)OCC.
What is the InChIKey of diethyl 2-[(Z)-4-methyl-2-methylidenehex-4-enyl]propanedioate?
The InChIKey is TYUFWLATFBRKRD-WDZFZDKYSA-N. The full InChI is InChI=1S/C15H24O4/c1-6-11(4)9-12(5)10-13(14(16)18-7-2)15(17)19-8-3/h6,13H,5,7-10H2,1-4H3/b11-6-.
What are the key properties of diethyl 2-[(Z)-4-methyl-2-methylidenehex-4-enyl]propanedioate?
diethyl 2-[(Z)-4-methyl-2-methylidenehex-4-enyl]propanedioate has a molecular weight of 268.35 g/mol, XLogP of 3.03, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[(Z)-4-methyl-2-methylidenehex-4-enyl]propanedioate is sourced from PubChem (CID 11391525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).