dimethyl (2E,4E,6E,8E,10E)-10-ethylidene-2,8-dimethylundeca-2,4,6,8-tetraenedioate

C17H22O4 — CID 135008119

IUPACdimethyl (2E,4E,6E,8E,10E)-10-ethylidene-2,8-dimethylundeca-2,4,6,8-tetraenedioate
SMILESC/C=C(\C=C(C)\C=C\C=C\C=C(/C)C(=O)OC)C(=O)OC
InChIInChI=1S/C17H22O4/c1-6-15(17(19)21-5)12-13(2)10-8-7-9-11-14(3)16(18)20-4/h6-12H,1-5H3/b9-7+,10-8+,13-12+,14-11+,15-6+
InChIKeyIBQTZUFHFANZTC-BEOAYZQFSA-N
MW290.36 g/mol
LogP3.28
Rot. Bonds6

About dimethyl (2E,4E,6E,8E,10E)-10-ethylidene-2,8-dimethylundeca-2,4,6,8-tetraenedioate

dimethyl (2E,4E,6E,8E,10E)-10-ethylidene-2,8-dimethylundeca-2,4,6,8-tetraenedioate (PubChem CID 135008119) has the molecular formula C17H22O4 and a molecular weight of 290.36 g/mol. Its IUPAC name is dimethyl (2E,4E,6E,8E,10E)-10-ethylidene-2,8-dimethylundeca-2,4,6,8-tetraenedioate.

Molecular Properties

Compound Namedimethyl (2E,4E,6E,8E,10E)-10-ethylidene-2,8-dimethylundeca-2,4,6,8-tetraenedioate
PubChem CID135008119
Molecular FormulaC17H22O4
Molecular Weight290.36 g/mol
Exact Mass290.15
IUPAC Namedimethyl (2E,4E,6E,8E,10E)-10-ethylidene-2,8-dimethylundeca-2,4,6,8-tetraenedioate
SMILESC/C=C(\C=C(C)\C=C\C=C\C=C(/C)C(=O)OC)C(=O)OC
InChIInChI=1S/C17H22O4/c1-6-15(17(19)21-5)12-13(2)10-8-7-9-11-14(3)16(18)20-4/h6-12H,1-5H3/b9-7+,10-8+,13-12+,14-11+,15-6+
InChIKeyIBQTZUFHFANZTC-BEOAYZQFSA-N
XLogP3.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze dimethyl (2E,4E,6E,8E,10E)-10-ethylidene-2,8-dimethylundeca-2,4,6,8-tetraenedioate 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 (2E,3E,5E,7E,9E)-12-cyano-2-ethylidene-4,10-dimethyl-11-oxododeca-3,5,7,9-tetraenoate
CID 11483406
methyl (2Z,3E,5E,7E,9Z)-2-ethylidene-11-[(5E)-5-(2-methoxy-2-oxoethylidene)-2-oxopyrrolidin-3-yl]-4,10-dimethyl-11-oxoundeca-3,5,7,9-tetraenoate
CID 10173181
methyl (2E,3E,5E,7E,9E)-2-ethylidene-11-[(1R,4R,5R)-4-hydroxy-4-(2-hydroxyethyl)-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]-4,10-dimethyl-11-oxoundeca-3,5,7,9-tetraenoate
CID 162976146
methyl (2E,4E)-2-methyl-6-oxohexa-2,4-dienoate
CID 11051871
tert-butyl (2E,3E,5E,7E)-2-ethylidene-4-methyl-9-oxonona-3,5,7-trienoate
CID 11436957
methyl (2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoate
CID 143172272
methyl (2E)-2,5-dimethylhexa-2,4-dienoate
CID 12700317
methyl (2E,3E,5E,7Z,9Z)-2-ethylidene-11-[(1R,4R,5S)-4-hydroxy-4-(2-hydroxyethyl)-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]-4,6,10-trimethyl-11-oxoundeca-3,5,7,9-tetraenoate
CID 177444322
methyl (2E,3E,5E,7Z,9Z)-2-ethylidene-11-[(1R,4S,5R)-4-hydroxy-4-(2-hydroxyethyl)-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]-4,6,10-trimethyl-11-oxoundeca-3,5,7,9-tetraenoate
CID 163027923
methyl (2E,3E,5E,7Z,9E)-2-ethylidene-11-[(1R,4S,5R)-4-hydroxy-4-(2-hydroxyethyl)-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]-4,6,10-trimethyl-11-oxoundeca-3,5,7,9-tetraenoate
CID 139586298
(3E,5E,7E,9E,11E,13Z,15E,17E)-3,7,12,16-tetramethylnonadeca-3,5,7,9,11,13,15,17-octaen-2-one
CID 10496105
methyl (2E,3E,5E,7E,9E,12E,14S)-16-[tert-butyl(diphenyl)silyl]oxy-12-cyano-2-ethylidene-4,10-dimethyl-11-oxo-14-triethylsilyloxyhexadeca-3,5,7,9,12-pentaenoate
CID 11468271

Frequently Asked Questions

What is the IUPAC name of dimethyl (2E,4E,6E,8E,10E)-10-ethylidene-2,8-dimethylundeca-2,4,6,8-tetraenedioate?
The IUPAC name of dimethyl (2E,4E,6E,8E,10E)-10-ethylidene-2,8-dimethylundeca-2,4,6,8-tetraenedioate (CID 135008119) is dimethyl (2E,4E,6E,8E,10E)-10-ethylidene-2,8-dimethylundeca-2,4,6,8-tetraenedioate.
What is the SMILES notation for dimethyl (2E,4E,6E,8E,10E)-10-ethylidene-2,8-dimethylundeca-2,4,6,8-tetraenedioate?
The canonical SMILES for dimethyl (2E,4E,6E,8E,10E)-10-ethylidene-2,8-dimethylundeca-2,4,6,8-tetraenedioate is C/C=C(\C=C(C)\C=C\C=C\C=C(/C)C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl (2E,4E,6E,8E,10E)-10-ethylidene-2,8-dimethylundeca-2,4,6,8-tetraenedioate?
The InChIKey is IBQTZUFHFANZTC-BEOAYZQFSA-N. The full InChI is InChI=1S/C17H22O4/c1-6-15(17(19)21-5)12-13(2)10-8-7-9-11-14(3)16(18)20-4/h6-12H,1-5H3/b9-7+,10-8+,13-12+,14-11+,15-6+.
What are the key properties of dimethyl (2E,4E,6E,8E,10E)-10-ethylidene-2,8-dimethylundeca-2,4,6,8-tetraenedioate?
dimethyl (2E,4E,6E,8E,10E)-10-ethylidene-2,8-dimethylundeca-2,4,6,8-tetraenedioate has a molecular weight of 290.36 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2E,4E,6E,8E,10E)-10-ethylidene-2,8-dimethylundeca-2,4,6,8-tetraenedioate is sourced from PubChem (CID 135008119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).