3-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)-3-(1-ethoxyethoxy)propanal

C14H24O5 — CID 19011012

IUPAC3-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)-3-(1-ethoxyethoxy)propanal
SMILESC=CC1OC(C)(C)OC1C(CC=O)OC(C)OCC
InChIInChI=1S/C14H24O5/c1-6-11-13(19-14(4,5)18-11)12(8-9-15)17-10(3)16-7-2/h6,9-13H,1,7-8H2,2-5H3
InChIKeyBVGPTYIPIUTKHJ-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.05
Rot. Bonds8

About 3-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)-3-(1-ethoxyethoxy)propanal

3-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)-3-(1-ethoxyethoxy)propanal (PubChem CID 19011012) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is 3-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)-3-(1-ethoxyethoxy)propanal.

Molecular Properties

Compound Name3-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)-3-(1-ethoxyethoxy)propanal
PubChem CID19011012
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name3-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)-3-(1-ethoxyethoxy)propanal
SMILESC=CC1OC(C)(C)OC1C(CC=O)OC(C)OCC
InChIInChI=1S/C14H24O5/c1-6-11-13(19-14(4,5)18-11)12(8-9-15)17-10(3)16-7-2/h6,9-13H,1,7-8H2,2-5H3
InChIKeyBVGPTYIPIUTKHJ-UHFFFAOYSA-N
XLogP2.05
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)-3-(1-ethoxyethoxy)propanal?
The IUPAC name of 3-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)-3-(1-ethoxyethoxy)propanal (CID 19011012) is 3-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)-3-(1-ethoxyethoxy)propanal.
What is the SMILES notation for 3-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)-3-(1-ethoxyethoxy)propanal?
The canonical SMILES for 3-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)-3-(1-ethoxyethoxy)propanal is C=CC1OC(C)(C)OC1C(CC=O)OC(C)OCC.
What is the InChIKey of 3-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)-3-(1-ethoxyethoxy)propanal?
The InChIKey is BVGPTYIPIUTKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O5/c1-6-11-13(19-14(4,5)18-11)12(8-9-15)17-10(3)16-7-2/h6,9-13H,1,7-8H2,2-5H3.
What are the key properties of 3-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)-3-(1-ethoxyethoxy)propanal?
3-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)-3-(1-ethoxyethoxy)propanal has a molecular weight of 272.34 g/mol, XLogP of 2.05, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)-3-(1-ethoxyethoxy)propanal is sourced from PubChem (CID 19011012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).