dimethyl 2-cyclopent-2-en-1-yl-2-pent-4-enylpropanedioate

C15H22O4 — CID 132553067

IUPACdimethyl 2-cyclopent-2-en-1-yl-2-pent-4-enylpropanedioate
SMILESC=CCCCC(C(=O)OC)(C(=O)OC)C1C=CCC1
InChIInChI=1S/C15H22O4/c1-4-5-8-11-15(13(16)18-2,14(17)19-3)12-9-6-7-10-12/h4,6,9,12H,1,5,7-8,10-11H2,2-3H3
InChIKeyAAGXNZWNCBFKST-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.64
Rot. Bonds7

About dimethyl 2-cyclopent-2-en-1-yl-2-pent-4-enylpropanedioate

dimethyl 2-cyclopent-2-en-1-yl-2-pent-4-enylpropanedioate (PubChem CID 132553067) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is dimethyl 2-cyclopent-2-en-1-yl-2-pent-4-enylpropanedioate.

Molecular Properties

Compound Namedimethyl 2-cyclopent-2-en-1-yl-2-pent-4-enylpropanedioate
PubChem CID132553067
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Namedimethyl 2-cyclopent-2-en-1-yl-2-pent-4-enylpropanedioate
SMILESC=CCCCC(C(=O)OC)(C(=O)OC)C1C=CCC1
InChIInChI=1S/C15H22O4/c1-4-5-8-11-15(13(16)18-2,14(17)19-3)12-9-6-7-10-12/h4,6,9,12H,1,5,7-8,10-11H2,2-3H3
InChIKeyAAGXNZWNCBFKST-UHFFFAOYSA-N
XLogP2.64
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.64
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

methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate
CID 10919705
dimethyl 2-acetyloxy-2-[(1R)-cyclopent-2-en-1-yl]propanedioate
CID 11821201
dimethyl 2-but-2-ynyl-2-cyclohex-2-en-1-ylpropanedioate
CID 101150599
diethyl 2-cyclohex-2-en-1-yl-2-prop-2-enylpropanedioate
CID 11044167
azane;methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate;osmium;bis(trifluoromethanesulfonic acid)
CID 10919704
methyl 2-fluoro-2-methylnon-8-enoate
CID 146260741
bis(hex-5-enyl) cyclohex-3-ene-1,2-dicarboxylate
CID 101305804
dimethyl 2-cyclohex-2-en-1-yl-2-(3-methylbuta-1,2-dienyl)propanedioate
CID 12000438
methyl 2-hydroxy-2-methyl-3-pent-4-enoxypropanoate
CID 79113910
2-methoxycarbonyl-2-methylnon-8-enoic acid
CID 107010769
methyl (2S)-2-(dimethylamino)-2-methylnon-8-enoate
CID 58307948
dimethyl 2-[(E)-pent-2-enyl]-2-pent-4-enylpropanedioate
CID 132916406

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-cyclopent-2-en-1-yl-2-pent-4-enylpropanedioate?
The IUPAC name of dimethyl 2-cyclopent-2-en-1-yl-2-pent-4-enylpropanedioate (CID 132553067) is dimethyl 2-cyclopent-2-en-1-yl-2-pent-4-enylpropanedioate.
What is the SMILES notation for dimethyl 2-cyclopent-2-en-1-yl-2-pent-4-enylpropanedioate?
The canonical SMILES for dimethyl 2-cyclopent-2-en-1-yl-2-pent-4-enylpropanedioate is C=CCCCC(C(=O)OC)(C(=O)OC)C1C=CCC1.
What is the InChIKey of dimethyl 2-cyclopent-2-en-1-yl-2-pent-4-enylpropanedioate?
The InChIKey is AAGXNZWNCBFKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-4-5-8-11-15(13(16)18-2,14(17)19-3)12-9-6-7-10-12/h4,6,9,12H,1,5,7-8,10-11H2,2-3H3.
What are the key properties of dimethyl 2-cyclopent-2-en-1-yl-2-pent-4-enylpropanedioate?
dimethyl 2-cyclopent-2-en-1-yl-2-pent-4-enylpropanedioate has a molecular weight of 266.34 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-cyclopent-2-en-1-yl-2-pent-4-enylpropanedioate is sourced from PubChem (CID 132553067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).