dimethyl 2-[(E)-pent-2-enyl]-2-pent-4-enylpropanedioate

C15H24O4 — CID 132916406

IUPACdimethyl 2-[(E)-pent-2-enyl]-2-pent-4-enylpropanedioate
SMILESC=CCCCC(C/C=C/CC)(C(=O)OC)C(=O)OC
InChIInChI=1S/C15H24O4/c1-5-7-9-11-15(13(16)18-3,14(17)19-4)12-10-8-6-2/h5,8,10H,1,6-7,9,11-12H2,2-4H3/b10-8+
InChIKeyMIOQJUGSCYFFRS-CSKARUKUSA-N
MW268.35 g/mol
LogP3.03
Rot. Bonds9

About dimethyl 2-[(E)-pent-2-enyl]-2-pent-4-enylpropanedioate

dimethyl 2-[(E)-pent-2-enyl]-2-pent-4-enylpropanedioate (PubChem CID 132916406) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is dimethyl 2-[(E)-pent-2-enyl]-2-pent-4-enylpropanedioate.

Molecular Properties

Compound Namedimethyl 2-[(E)-pent-2-enyl]-2-pent-4-enylpropanedioate
PubChem CID132916406
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Namedimethyl 2-[(E)-pent-2-enyl]-2-pent-4-enylpropanedioate
SMILESC=CCCCC(C/C=C/CC)(C(=O)OC)C(=O)OC
InChIInChI=1S/C15H24O4/c1-5-7-9-11-15(13(16)18-3,14(17)19-4)12-10-8-6-2/h5,8,10H,1,6-7,9,11-12H2,2-4H3/b10-8+
InChIKeyMIOQJUGSCYFFRS-CSKARUKUSA-N
XLogP3.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tetramethyl (6E)-dodeca-1,6,11-triene-3,3,8,8-tetracarboxylate
CID 11349994
dimethyl 2,2-bis[(Z)-hex-3-enyl]propanedioate
CID 166006092
dimethyl 2-[(3R)-3-deuteriohex-5-enyl]-2-(3-deuterioprop-2-enyl)propanedioate
CID 101347390
dimethyl 2-but-3-enyl-2-(3-methylbut-2-enyl)propanedioate
CID 11149483
dimethyl 2-[(E)-but-2-enyl]-2-prop-2-enylpropanedioate
CID 10609285
1-O-methyl 3-O-prop-2-enyl 2,2-dipentylpropanedioate
CID 175116511
methyl 2-(hex-5-enylamino)-2-methylpropanoate
CID 151175914
dimethyl 2-[(E)-but-2-enyl]-2-ethylpropanedioate
CID 86620057
methyl 2-fluoro-2-methylnon-8-enoate
CID 146260741
dimethyl 2-[(E,4R)-4-acetyloxy-4-[tert-butyl(dimethyl)silyl]but-2-enyl]-2-but-3-enylpropanedioate
CID 102076883
2-methoxycarbonyl-2-methylnon-8-enoic acid
CID 107010769
dimethyl 2-[(3E)-3-methylhexa-3,5-dienyl]-2-[(2E)-penta-2,4-dienyl]propanedioate
CID 102314061

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(E)-pent-2-enyl]-2-pent-4-enylpropanedioate?
The IUPAC name of dimethyl 2-[(E)-pent-2-enyl]-2-pent-4-enylpropanedioate (CID 132916406) is dimethyl 2-[(E)-pent-2-enyl]-2-pent-4-enylpropanedioate.
What is the SMILES notation for dimethyl 2-[(E)-pent-2-enyl]-2-pent-4-enylpropanedioate?
The canonical SMILES for dimethyl 2-[(E)-pent-2-enyl]-2-pent-4-enylpropanedioate is C=CCCCC(C/C=C/CC)(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-[(E)-pent-2-enyl]-2-pent-4-enylpropanedioate?
The InChIKey is MIOQJUGSCYFFRS-CSKARUKUSA-N. The full InChI is InChI=1S/C15H24O4/c1-5-7-9-11-15(13(16)18-3,14(17)19-4)12-10-8-6-2/h5,8,10H,1,6-7,9,11-12H2,2-4H3/b10-8+.
What are the key properties of dimethyl 2-[(E)-pent-2-enyl]-2-pent-4-enylpropanedioate?
dimethyl 2-[(E)-pent-2-enyl]-2-pent-4-enylpropanedioate has a molecular weight of 268.35 g/mol, XLogP of 3.03, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(E)-pent-2-enyl]-2-pent-4-enylpropanedioate is sourced from PubChem (CID 132916406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).