diethyl 2-[1-(oxan-2-yloxy)ethyl]-2-pent-4-enylpropanedioate

C19H32O6 — CID 19904726

IUPACdiethyl 2-[1-(oxan-2-yloxy)ethyl]-2-pent-4-enylpropanedioate
SMILESC=CCCCC(C(=O)OCC)(C(=O)OCC)C(C)OC1CCCCO1
InChIInChI=1S/C19H32O6/c1-5-8-10-13-19(17(20)22-6-2,18(21)23-7-3)15(4)25-16-12-9-11-14-24-16/h5,15-16H,1,6-14H2,2-4H3
InChIKeyUZVDPJAEQLVMFG-UHFFFAOYSA-N
MW356.46 g/mol
LogP3.39
Rot. Bonds11

About diethyl 2-[1-(oxan-2-yloxy)ethyl]-2-pent-4-enylpropanedioate

diethyl 2-[1-(oxan-2-yloxy)ethyl]-2-pent-4-enylpropanedioate (PubChem CID 19904726) has the molecular formula C19H32O6 and a molecular weight of 356.46 g/mol. Its IUPAC name is diethyl 2-[1-(oxan-2-yloxy)ethyl]-2-pent-4-enylpropanedioate.

Molecular Properties

Compound Namediethyl 2-[1-(oxan-2-yloxy)ethyl]-2-pent-4-enylpropanedioate
PubChem CID19904726
Molecular FormulaC19H32O6
Molecular Weight356.46 g/mol
Exact Mass356.22
IUPAC Namediethyl 2-[1-(oxan-2-yloxy)ethyl]-2-pent-4-enylpropanedioate
SMILESC=CCCCC(C(=O)OCC)(C(=O)OCC)C(C)OC1CCCCO1
InChIInChI=1S/C19H32O6/c1-5-8-10-13-19(17(20)22-6-2,18(21)23-7-3)15(4)25-16-12-9-11-14-24-16/h5,15-16H,1,6-14H2,2-4H3
InChIKeyUZVDPJAEQLVMFG-UHFFFAOYSA-N
XLogP3.39
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of diethyl 2-[1-(oxan-2-yloxy)ethyl]-2-pent-4-enylpropanedioate?
The IUPAC name of diethyl 2-[1-(oxan-2-yloxy)ethyl]-2-pent-4-enylpropanedioate (CID 19904726) is diethyl 2-[1-(oxan-2-yloxy)ethyl]-2-pent-4-enylpropanedioate.
What is the SMILES notation for diethyl 2-[1-(oxan-2-yloxy)ethyl]-2-pent-4-enylpropanedioate?
The canonical SMILES for diethyl 2-[1-(oxan-2-yloxy)ethyl]-2-pent-4-enylpropanedioate is C=CCCCC(C(=O)OCC)(C(=O)OCC)C(C)OC1CCCCO1.
What is the InChIKey of diethyl 2-[1-(oxan-2-yloxy)ethyl]-2-pent-4-enylpropanedioate?
The InChIKey is UZVDPJAEQLVMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O6/c1-5-8-10-13-19(17(20)22-6-2,18(21)23-7-3)15(4)25-16-12-9-11-14-24-16/h5,15-16H,1,6-14H2,2-4H3.
What are the key properties of diethyl 2-[1-(oxan-2-yloxy)ethyl]-2-pent-4-enylpropanedioate?
diethyl 2-[1-(oxan-2-yloxy)ethyl]-2-pent-4-enylpropanedioate has a molecular weight of 356.46 g/mol, XLogP of 3.39, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[1-(oxan-2-yloxy)ethyl]-2-pent-4-enylpropanedioate is sourced from PubChem (CID 19904726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).