dimethyl 2-methyl-2-[(2E,4E)-nona-2,4-dienyl]propanedioate

C15H24O4 — CID 10778320

IUPACdimethyl 2-methyl-2-[(2E,4E)-nona-2,4-dienyl]propanedioate
SMILESCCCC/C=C/C=C/CC(C)(C(=O)OC)C(=O)OC
InChIInChI=1S/C15H24O4/c1-5-6-7-8-9-10-11-12-15(2,13(16)18-3)14(17)19-4/h8-11H,5-7,12H2,1-4H3/b9-8+,11-10+
InChIKeyUQVYBBLBZZNREK-BNFZFUHLSA-N
MW268.35 g/mol
LogP3.03
Rot. Bonds8

About dimethyl 2-methyl-2-[(2E,4E)-nona-2,4-dienyl]propanedioate

dimethyl 2-methyl-2-[(2E,4E)-nona-2,4-dienyl]propanedioate (PubChem CID 10778320) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is dimethyl 2-methyl-2-[(2E,4E)-nona-2,4-dienyl]propanedioate.

Molecular Properties

Compound Namedimethyl 2-methyl-2-[(2E,4E)-nona-2,4-dienyl]propanedioate
PubChem CID10778320
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Namedimethyl 2-methyl-2-[(2E,4E)-nona-2,4-dienyl]propanedioate
SMILESCCCC/C=C/C=C/CC(C)(C(=O)OC)C(=O)OC
InChIInChI=1S/C15H24O4/c1-5-6-7-8-9-10-11-12-15(2,13(16)18-3)14(17)19-4/h8-11H,5-7,12H2,1-4H3/b9-8+,11-10+
InChIKeyUQVYBBLBZZNREK-BNFZFUHLSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

methyl (2E,4E,6E)-undeca-2,4,6-trienoate
CID 21044545
methyl (E)-2,2,4,4-tetramethyldec-5-enoate
CID 126703602
methyl (9E,11E)-hexadeca-9,11-dienoate
CID 175988172
methyl hexadeca-9,11-dienoate
CID 71381501
methyl (9E,11E,13E)-octadeca-9,11,13-trienoate
CID 6433658
methyl (10E,12E)-2,2-dimethyl-9-oxooctadeca-10,12-dienoate
CID 164938319
methyl (9E,11E)-2,2-dimethyl-13-oxooctadeca-9,11-dienoate
CID 156679884
octa-1,3-dienyl acetate
CID 54107935
[(5Z,7Z)-icosa-1,3,5,7,9-pentaenyl] 2,2-dimethylpropanoate
CID 87557905
methyl (4Z)-undeca-2,4-dienoate
CID 172824918
methyl (E)-hept-2-enoate
CID 5368087
deca-3,5-dienoic acid
CID 54113782

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-methyl-2-[(2E,4E)-nona-2,4-dienyl]propanedioate?
The IUPAC name of dimethyl 2-methyl-2-[(2E,4E)-nona-2,4-dienyl]propanedioate (CID 10778320) is dimethyl 2-methyl-2-[(2E,4E)-nona-2,4-dienyl]propanedioate.
What is the SMILES notation for dimethyl 2-methyl-2-[(2E,4E)-nona-2,4-dienyl]propanedioate?
The canonical SMILES for dimethyl 2-methyl-2-[(2E,4E)-nona-2,4-dienyl]propanedioate is CCCC/C=C/C=C/CC(C)(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-methyl-2-[(2E,4E)-nona-2,4-dienyl]propanedioate?
The InChIKey is UQVYBBLBZZNREK-BNFZFUHLSA-N. The full InChI is InChI=1S/C15H24O4/c1-5-6-7-8-9-10-11-12-15(2,13(16)18-3)14(17)19-4/h8-11H,5-7,12H2,1-4H3/b9-8+,11-10+.
What are the key properties of dimethyl 2-methyl-2-[(2E,4E)-nona-2,4-dienyl]propanedioate?
dimethyl 2-methyl-2-[(2E,4E)-nona-2,4-dienyl]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 dimethyl 2-methyl-2-[(2E,4E)-nona-2,4-dienyl]propanedioate is sourced from PubChem (CID 10778320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).