1-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-ylidene)ethoxy]ethoxy]ethoxy]ethoxy]pent-2-en-3-yl acetate

C18H28O9 — CID 146259932

IUPAC1-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-ylidene)ethoxy]ethoxy]ethoxy]ethoxy]pent-2-en-3-yl acetate
SMILESCCC(=CCOCCOCCOCCOCC=C1COC(=O)O1)OC(C)=O
InChIInChI=1S/C18H28O9/c1-3-16(26-15(2)19)4-6-21-8-10-23-12-13-24-11-9-22-7-5-17-14-25-18(20)27-17/h4-5H,3,6-14H2,1-2H3
InChIKeyXLBMGGJZMGNMHM-UHFFFAOYSA-N
MW388.41 g/mol
LogP1.96
Rot. Bonds15

About 1-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-ylidene)ethoxy]ethoxy]ethoxy]ethoxy]pent-2-en-3-yl acetate

1-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-ylidene)ethoxy]ethoxy]ethoxy]ethoxy]pent-2-en-3-yl acetate (PubChem CID 146259932) has the molecular formula C18H28O9 and a molecular weight of 388.41 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-ylidene)ethoxy]ethoxy]ethoxy]ethoxy]pent-2-en-3-yl acetate.

Molecular Properties

Compound Name1-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-ylidene)ethoxy]ethoxy]ethoxy]ethoxy]pent-2-en-3-yl acetate
PubChem CID146259932
Molecular FormulaC18H28O9
Molecular Weight388.41 g/mol
Exact Mass388.17
IUPAC Name1-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-ylidene)ethoxy]ethoxy]ethoxy]ethoxy]pent-2-en-3-yl acetate
SMILESCCC(=CCOCCOCCOCCOCC=C1COC(=O)O1)OC(C)=O
InChIInChI=1S/C18H28O9/c1-3-16(26-15(2)19)4-6-21-8-10-23-12-13-24-11-9-22-7-5-17-14-25-18(20)27-17/h4-5H,3,6-14H2,1-2H3
InChIKeyXLBMGGJZMGNMHM-UHFFFAOYSA-N
XLogP1.96
TPSA98.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-ylidene)ethoxy]ethoxy]ethoxy]ethoxy]pent-2-en-3-yl acetate?
The IUPAC name of 1-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-ylidene)ethoxy]ethoxy]ethoxy]ethoxy]pent-2-en-3-yl acetate (CID 146259932) is 1-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-ylidene)ethoxy]ethoxy]ethoxy]ethoxy]pent-2-en-3-yl acetate.
What is the SMILES notation for 1-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-ylidene)ethoxy]ethoxy]ethoxy]ethoxy]pent-2-en-3-yl acetate?
The canonical SMILES for 1-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-ylidene)ethoxy]ethoxy]ethoxy]ethoxy]pent-2-en-3-yl acetate is CCC(=CCOCCOCCOCCOCC=C1COC(=O)O1)OC(C)=O.
What is the InChIKey of 1-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-ylidene)ethoxy]ethoxy]ethoxy]ethoxy]pent-2-en-3-yl acetate?
The InChIKey is XLBMGGJZMGNMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O9/c1-3-16(26-15(2)19)4-6-21-8-10-23-12-13-24-11-9-22-7-5-17-14-25-18(20)27-17/h4-5H,3,6-14H2,1-2H3.
What are the key properties of 1-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-ylidene)ethoxy]ethoxy]ethoxy]ethoxy]pent-2-en-3-yl acetate?
1-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-ylidene)ethoxy]ethoxy]ethoxy]ethoxy]pent-2-en-3-yl acetate has a molecular weight of 388.41 g/mol, XLogP of 1.96, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-ylidene)ethoxy]ethoxy]ethoxy]ethoxy]pent-2-en-3-yl acetate is sourced from PubChem (CID 146259932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).