prop-2-enyl 2-(2,3-dihydrofuran-2-yl)-5-methylhexa-2,5-dienoate

C14H18O3 — CID 70599587

IUPACprop-2-enyl 2-(2,3-dihydrofuran-2-yl)-5-methylhexa-2,5-dienoate
SMILESC=CCOC(=O)C(=CCC(=C)C)C1CC=CO1
InChIInChI=1S/C14H18O3/c1-4-9-17-14(15)12(8-7-11(2)3)13-6-5-10-16-13/h4-5,8,10,13H,1-2,6-7,9H2,3H3
InChIKeyFURMZQQQRNLRIN-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.91
Rot. Bonds6

About prop-2-enyl 2-(2,3-dihydrofuran-2-yl)-5-methylhexa-2,5-dienoate

prop-2-enyl 2-(2,3-dihydrofuran-2-yl)-5-methylhexa-2,5-dienoate (PubChem CID 70599587) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is prop-2-enyl 2-(2,3-dihydrofuran-2-yl)-5-methylhexa-2,5-dienoate.

Molecular Properties

Compound Nameprop-2-enyl 2-(2,3-dihydrofuran-2-yl)-5-methylhexa-2,5-dienoate
PubChem CID70599587
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Nameprop-2-enyl 2-(2,3-dihydrofuran-2-yl)-5-methylhexa-2,5-dienoate
SMILESC=CCOC(=O)C(=CCC(=C)C)C1CC=CO1
InChIInChI=1S/C14H18O3/c1-4-9-17-14(15)12(8-7-11(2)3)13-6-5-10-16-13/h4-5,8,10,13H,1-2,6-7,9H2,3H3
InChIKeyFURMZQQQRNLRIN-UHFFFAOYSA-N
XLogP2.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-(2,3-dihydrofuran-2-yl)-5-methylhexa-2,5-dienoate?
The IUPAC name of prop-2-enyl 2-(2,3-dihydrofuran-2-yl)-5-methylhexa-2,5-dienoate (CID 70599587) is prop-2-enyl 2-(2,3-dihydrofuran-2-yl)-5-methylhexa-2,5-dienoate.
What is the SMILES notation for prop-2-enyl 2-(2,3-dihydrofuran-2-yl)-5-methylhexa-2,5-dienoate?
The canonical SMILES for prop-2-enyl 2-(2,3-dihydrofuran-2-yl)-5-methylhexa-2,5-dienoate is C=CCOC(=O)C(=CCC(=C)C)C1CC=CO1.
What is the InChIKey of prop-2-enyl 2-(2,3-dihydrofuran-2-yl)-5-methylhexa-2,5-dienoate?
The InChIKey is FURMZQQQRNLRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-4-9-17-14(15)12(8-7-11(2)3)13-6-5-10-16-13/h4-5,8,10,13H,1-2,6-7,9H2,3H3.
What are the key properties of prop-2-enyl 2-(2,3-dihydrofuran-2-yl)-5-methylhexa-2,5-dienoate?
prop-2-enyl 2-(2,3-dihydrofuran-2-yl)-5-methylhexa-2,5-dienoate has a molecular weight of 234.29 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-(2,3-dihydrofuran-2-yl)-5-methylhexa-2,5-dienoate is sourced from PubChem (CID 70599587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).