methyl (2E,4E)-3-methyl-9-propan-2-yloxynona-2,4-dienoate

C14H24O3 — CID 23263131

IUPACmethyl (2E,4E)-3-methyl-9-propan-2-yloxynona-2,4-dienoate
SMILESCOC(=O)/C=C(C)/C=C/CCCCOC(C)C
InChIInChI=1S/C14H24O3/c1-12(2)17-10-8-6-5-7-9-13(3)11-14(15)16-4/h7,9,11-12H,5-6,8,10H2,1-4H3/b9-7+,13-11+
InChIKeyCBODBNXCJGDUTD-PTSVWTKZSA-N
MW240.34 g/mol
LogP3.26
Rot. Bonds8

About methyl (2E,4E)-3-methyl-9-propan-2-yloxynona-2,4-dienoate

methyl (2E,4E)-3-methyl-9-propan-2-yloxynona-2,4-dienoate (PubChem CID 23263131) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is methyl (2E,4E)-3-methyl-9-propan-2-yloxynona-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2E,4E)-3-methyl-9-propan-2-yloxynona-2,4-dienoate
PubChem CID23263131
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Namemethyl (2E,4E)-3-methyl-9-propan-2-yloxynona-2,4-dienoate
SMILESCOC(=O)/C=C(C)/C=C/CCCCOC(C)C
InChIInChI=1S/C14H24O3/c1-12(2)17-10-8-6-5-7-9-13(3)11-14(15)16-4/h7,9,11-12H,5-6,8,10H2,1-4H3/b9-7+,13-11+
InChIKeyCBODBNXCJGDUTD-PTSVWTKZSA-N
XLogP3.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (2E,4E)-3-methyl-9-propan-2-yloxynona-2,4-dienoate 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

propan-2-yl 3-methyl-10-prop-2-ynoxydeca-2,4-dienoate
CID 54481183
(E)-7-propan-2-yloxy-1-pyrrolidin-1-ylhept-2-en-1-one
CID 159542504
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
methyl (2E,4E)-3,7,10,11-tetramethyldodeca-2,4-dienoate
CID 21437627
methyl 8-oxonon-2-enoate
CID 587965
dimethyl (2E,14E)-8,9-dihydroxyhexadeca-2,14-dienedioate
CID 15695640
methyl (E)-7-hydroxyoct-2-enoate
CID 11062875
methyl (2E)-octadeca-2,17-dienoate
CID 11781391
methyl (2E,8E)-undeca-2,8-dienoate
CID 102118335
dimethyl (2E,6E)-3-methylocta-2,6-dienedioate
CID 15749232
methyl (E)-hept-2-enoate
CID 5368087

Frequently Asked Questions

What is the IUPAC name of methyl (2E,4E)-3-methyl-9-propan-2-yloxynona-2,4-dienoate?
The IUPAC name of methyl (2E,4E)-3-methyl-9-propan-2-yloxynona-2,4-dienoate (CID 23263131) is methyl (2E,4E)-3-methyl-9-propan-2-yloxynona-2,4-dienoate.
What is the SMILES notation for methyl (2E,4E)-3-methyl-9-propan-2-yloxynona-2,4-dienoate?
The canonical SMILES for methyl (2E,4E)-3-methyl-9-propan-2-yloxynona-2,4-dienoate is COC(=O)/C=C(C)/C=C/CCCCOC(C)C.
What is the InChIKey of methyl (2E,4E)-3-methyl-9-propan-2-yloxynona-2,4-dienoate?
The InChIKey is CBODBNXCJGDUTD-PTSVWTKZSA-N. The full InChI is InChI=1S/C14H24O3/c1-12(2)17-10-8-6-5-7-9-13(3)11-14(15)16-4/h7,9,11-12H,5-6,8,10H2,1-4H3/b9-7+,13-11+.
What are the key properties of methyl (2E,4E)-3-methyl-9-propan-2-yloxynona-2,4-dienoate?
methyl (2E,4E)-3-methyl-9-propan-2-yloxynona-2,4-dienoate has a molecular weight of 240.34 g/mol, XLogP of 3.26, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,4E)-3-methyl-9-propan-2-yloxynona-2,4-dienoate is sourced from PubChem (CID 23263131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).