ethyl 3,5,7,10-tetramethylundeca-2,4-dienoate

C17H30O2 — CID 54282549

IUPACethyl 3,5,7,10-tetramethylundeca-2,4-dienoate
SMILESCCOC(=O)C=C(C)C=C(C)CC(C)CCC(C)C
InChIInChI=1S/C17H30O2/c1-7-19-17(18)12-16(6)11-15(5)10-14(4)9-8-13(2)3/h11-14H,7-10H2,1-6H3
InChIKeyRRUNWPFROBOIJN-UHFFFAOYSA-N
MW266.43 g/mol
LogP4.90
Rot. Bonds8

About ethyl 3,5,7,10-tetramethylundeca-2,4-dienoate

ethyl 3,5,7,10-tetramethylundeca-2,4-dienoate (PubChem CID 54282549) has the molecular formula C17H30O2 and a molecular weight of 266.43 g/mol. Its IUPAC name is ethyl 3,5,7,10-tetramethylundeca-2,4-dienoate.

Molecular Properties

Compound Nameethyl 3,5,7,10-tetramethylundeca-2,4-dienoate
PubChem CID54282549
Molecular FormulaC17H30O2
Molecular Weight266.43 g/mol
Exact Mass266.22
IUPAC Nameethyl 3,5,7,10-tetramethylundeca-2,4-dienoate
SMILESCCOC(=O)C=C(C)C=C(C)CC(C)CCC(C)C
InChIInChI=1S/C17H30O2/c1-7-19-17(18)12-16(6)11-15(5)10-14(4)9-8-13(2)3/h11-14H,7-10H2,1-6H3
InChIKeyRRUNWPFROBOIJN-UHFFFAOYSA-N
XLogP4.90
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 ≤ 54.90
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

ethyl 11-ethyl-3,5,7-trimethyltrideca-2,4,10-trienoate
CID 54553058
ethyl 11-methoxy-3,5,7,11-tetramethyldodeca-2,4-dienoate
CID 54084564
ethyl (2E,4E)-3,7,10-trimethylundeca-2,4-dienoate
CID 21437517
ethyl 3,4,7,10-tetramethylundeca-2,4-dienoate
CID 54403356
ethyl (E)-3,7-dimethyloct-2-enoate
CID 87604392
ethyl (2E,4S,6R,8E,10E,12E)-4,6,8,10,12-pentamethyltetradeca-2,8,10,12-tetraenoate
CID 71713852
ethyl (Z,5R)-3-amino-5-methyloct-2-enoate
CID 56839612
ethyl (Z)-3,5-dimethyl-6-phenylhex-2-enoate
CID 142907956
ethyl (E)-5-amino-3-methylhept-2-enoate;hydrochloride
CID 170889429
4,7-dimethyloctan-2-one
CID 21437689
ethyl (2E,4E)-3,4,8,12-tetramethyltrideca-2,4-dienoate
CID 21437612
ethyl 3-acetyloxy-4-methylpent-2-enoate
CID 71368542

Frequently Asked Questions

What is the IUPAC name of ethyl 3,5,7,10-tetramethylundeca-2,4-dienoate?
The IUPAC name of ethyl 3,5,7,10-tetramethylundeca-2,4-dienoate (CID 54282549) is ethyl 3,5,7,10-tetramethylundeca-2,4-dienoate.
What is the SMILES notation for ethyl 3,5,7,10-tetramethylundeca-2,4-dienoate?
The canonical SMILES for ethyl 3,5,7,10-tetramethylundeca-2,4-dienoate is CCOC(=O)C=C(C)C=C(C)CC(C)CCC(C)C.
What is the InChIKey of ethyl 3,5,7,10-tetramethylundeca-2,4-dienoate?
The InChIKey is RRUNWPFROBOIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-7-19-17(18)12-16(6)11-15(5)10-14(4)9-8-13(2)3/h11-14H,7-10H2,1-6H3.
What are the key properties of ethyl 3,5,7,10-tetramethylundeca-2,4-dienoate?
ethyl 3,5,7,10-tetramethylundeca-2,4-dienoate has a molecular weight of 266.43 g/mol, XLogP of 4.90, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,5,7,10-tetramethylundeca-2,4-dienoate is sourced from PubChem (CID 54282549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).