methyl 2-(4-phenylpenta-1,4-dien-2-yl)-5-propyl-2,3-dihydrofuran-4-carboxylate

C20H24O3 — CID 135068918

IUPACmethyl 2-(4-phenylpenta-1,4-dien-2-yl)-5-propyl-2,3-dihydrofuran-4-carboxylate
SMILESC=C(CC(=C)C1CC(C(=O)OC)=C(CCC)O1)c1ccccc1
InChIInChI=1S/C20H24O3/c1-5-9-18-17(20(21)22-4)13-19(23-18)15(3)12-14(2)16-10-7-6-8-11-16/h6-8,10-11,19H,2-3,5,9,12-13H2,1,4H3
InChIKeyLQZNOUFDMJHTQZ-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.66
Rot. Bonds7

About methyl 2-(4-phenylpenta-1,4-dien-2-yl)-5-propyl-2,3-dihydrofuran-4-carboxylate

methyl 2-(4-phenylpenta-1,4-dien-2-yl)-5-propyl-2,3-dihydrofuran-4-carboxylate (PubChem CID 135068918) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is methyl 2-(4-phenylpenta-1,4-dien-2-yl)-5-propyl-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-phenylpenta-1,4-dien-2-yl)-5-propyl-2,3-dihydrofuran-4-carboxylate
PubChem CID135068918
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Namemethyl 2-(4-phenylpenta-1,4-dien-2-yl)-5-propyl-2,3-dihydrofuran-4-carboxylate
SMILESC=C(CC(=C)C1CC(C(=O)OC)=C(CCC)O1)c1ccccc1
InChIInChI=1S/C20H24O3/c1-5-9-18-17(20(21)22-4)13-19(23-18)15(3)12-14(2)16-10-7-6-8-11-16/h6-8,10-11,19H,2-3,5,9,12-13H2,1,4H3
InChIKeyLQZNOUFDMJHTQZ-UHFFFAOYSA-N
XLogP4.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-phenylpenta-1,4-dien-2-yl)-5-propyl-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of methyl 2-(4-phenylpenta-1,4-dien-2-yl)-5-propyl-2,3-dihydrofuran-4-carboxylate (CID 135068918) is methyl 2-(4-phenylpenta-1,4-dien-2-yl)-5-propyl-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for methyl 2-(4-phenylpenta-1,4-dien-2-yl)-5-propyl-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for methyl 2-(4-phenylpenta-1,4-dien-2-yl)-5-propyl-2,3-dihydrofuran-4-carboxylate is C=C(CC(=C)C1CC(C(=O)OC)=C(CCC)O1)c1ccccc1.
What is the InChIKey of methyl 2-(4-phenylpenta-1,4-dien-2-yl)-5-propyl-2,3-dihydrofuran-4-carboxylate?
The InChIKey is LQZNOUFDMJHTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3/c1-5-9-18-17(20(21)22-4)13-19(23-18)15(3)12-14(2)16-10-7-6-8-11-16/h6-8,10-11,19H,2-3,5,9,12-13H2,1,4H3.
What are the key properties of methyl 2-(4-phenylpenta-1,4-dien-2-yl)-5-propyl-2,3-dihydrofuran-4-carboxylate?
methyl 2-(4-phenylpenta-1,4-dien-2-yl)-5-propyl-2,3-dihydrofuran-4-carboxylate has a molecular weight of 312.41 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-phenylpenta-1,4-dien-2-yl)-5-propyl-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 135068918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).