methyl (2E,4E)-3,7,10,11-tetramethyldodeca-2,4-dienoate

C17H30O2 — CID 21437627

IUPACmethyl (2E,4E)-3,7,10,11-tetramethyldodeca-2,4-dienoate
SMILESCOC(=O)/C=C(C)/C=C/CC(C)CCC(C)C(C)C
InChIInChI=1S/C17H30O2/c1-13(2)16(5)11-10-14(3)8-7-9-15(4)12-17(18)19-6/h7,9,12-14,16H,8,10-11H2,1-6H3/b9-7+,15-12+
InChIKeyDENIZNDGKQCAAG-KDFHGORWSA-N
MW266.43 g/mol
LogP4.76
Rot. Bonds8

About methyl (2E,4E)-3,7,10,11-tetramethyldodeca-2,4-dienoate

methyl (2E,4E)-3,7,10,11-tetramethyldodeca-2,4-dienoate (PubChem CID 21437627) has the molecular formula C17H30O2 and a molecular weight of 266.43 g/mol. Its IUPAC name is methyl (2E,4E)-3,7,10,11-tetramethyldodeca-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2E,4E)-3,7,10,11-tetramethyldodeca-2,4-dienoate
PubChem CID21437627
Molecular FormulaC17H30O2
Molecular Weight266.43 g/mol
Exact Mass266.22
IUPAC Namemethyl (2E,4E)-3,7,10,11-tetramethyldodeca-2,4-dienoate
SMILESCOC(=O)/C=C(C)/C=C/CC(C)CCC(C)C(C)C
InChIInChI=1S/C17H30O2/c1-13(2)16(5)11-10-14(3)8-7-9-15(4)12-17(18)19-6/h7,9,12-14,16H,8,10-11H2,1-6H3/b9-7+,15-12+
InChIKeyDENIZNDGKQCAAG-KDFHGORWSA-N
XLogP4.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (4Z)-3,7,11-trimethyldodeca-2,4,10-trienoate
CID 86733723
methyl (2E,4E)-3,7,11,11-tetramethyldodeca-2,4-dienoate
CID 21437723
ethyl (2E,4E)-3,7,10-trimethylundeca-2,4-dienoate
CID 21437517
propan-2-yl (2E,4E)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate
CID 5366546
propan-2-yl (7S)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate
CID 6710719
propan-2-yl (2E,4E,7R)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate
CID 16722132
(2E,4E)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate
CID 22235072
propan-2-yl (4E)-3,7,11-trimethyldodeca-2,4,10-trienoate
CID 86733732
ethyl 3,7,11-trimethyldodeca-2,4,10-trienoate
CID 54528342
methyl (2E)-8-amino-5,9-dimethyldeca-2,9-dienoate
CID 19865148
methyl 10-amino-5,9-dimethyldeca-2,8-dienoate
CID 54405734
ethyl (4E)-10,11-dibromo-3,7,11-trimethyldodeca-2,4-dienoate
CID 161085246

Frequently Asked Questions

What is the IUPAC name of methyl (2E,4E)-3,7,10,11-tetramethyldodeca-2,4-dienoate?
The IUPAC name of methyl (2E,4E)-3,7,10,11-tetramethyldodeca-2,4-dienoate (CID 21437627) is methyl (2E,4E)-3,7,10,11-tetramethyldodeca-2,4-dienoate.
What is the SMILES notation for methyl (2E,4E)-3,7,10,11-tetramethyldodeca-2,4-dienoate?
The canonical SMILES for methyl (2E,4E)-3,7,10,11-tetramethyldodeca-2,4-dienoate is COC(=O)/C=C(C)/C=C/CC(C)CCC(C)C(C)C.
What is the InChIKey of methyl (2E,4E)-3,7,10,11-tetramethyldodeca-2,4-dienoate?
The InChIKey is DENIZNDGKQCAAG-KDFHGORWSA-N. The full InChI is InChI=1S/C17H30O2/c1-13(2)16(5)11-10-14(3)8-7-9-15(4)12-17(18)19-6/h7,9,12-14,16H,8,10-11H2,1-6H3/b9-7+,15-12+.
What are the key properties of methyl (2E,4E)-3,7,10,11-tetramethyldodeca-2,4-dienoate?
methyl (2E,4E)-3,7,10,11-tetramethyldodeca-2,4-dienoate has a molecular weight of 266.43 g/mol, XLogP of 4.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,4E)-3,7,10,11-tetramethyldodeca-2,4-dienoate is sourced from PubChem (CID 21437627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).