4-(2-prop-2-enoxyethyl)-1,3-dioxolane

C8H14O3 — CID 134822064

IUPAC4-(2-prop-2-enoxyethyl)-1,3-dioxolane
SMILESC=CCOCCC1COCO1
InChIInChI=1S/C8H14O3/c1-2-4-9-5-3-8-6-10-7-11-8/h2,8H,1,3-7H2
InChIKeyVVWZAEVPZZGLIV-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.95
Rot. Bonds5

About 4-(2-prop-2-enoxyethyl)-1,3-dioxolane

4-(2-prop-2-enoxyethyl)-1,3-dioxolane (PubChem CID 134822064) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 4-(2-prop-2-enoxyethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4-(2-prop-2-enoxyethyl)-1,3-dioxolane
PubChem CID134822064
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name4-(2-prop-2-enoxyethyl)-1,3-dioxolane
SMILESC=CCOCCC1COCO1
InChIInChI=1S/C8H14O3/c1-2-4-9-5-3-8-6-10-7-11-8/h2,8H,1,3-7H2
InChIKeyVVWZAEVPZZGLIV-UHFFFAOYSA-N
XLogP0.95
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Ethenyl-4-methyl-1,3-dioxolane
CID 17025
4-[(Allyloxy)methyl]-2,2-dimethyl-1,3-dioxolane
CID 2780154
(4S)-2,2-dimethyl-4-(prop-2-enoxymethyl)-1,3-dioxolane
CID 7003814
4-[(Allyloxy)ethyl]-2,2-dimethyl-1,3-dioxolane
CID 11816293
4-[(Allyloxy)methyl]-1,3-dioxane
CID 15094097
(4R)-2,2-dimethyl-4-(prop-2-enoxymethyl)-1,3-dioxolane
CID 7003813
4-Allyloxymethyl-2-vinyl-1,3-dioxolane
CID 13237943
2-Vinyl-4-[2-(vinyloxy)ethoxymethyl]-1,3-dioxolane
CID 129742257
(4S,5S)-4,5-Bis(methoxymethyl)-2-vinyl-1,3-dioxolane
CID 101621279
1-[(2-Ethyl-2-methyl-1,3-dioxolan-4-yl)methoxy]prop-2-ene
CID 4623933
1,3-Dioxolane, 2-methoxy-2-methyl-4-[(2-propenyloxy)methyl]-
CID 11052388
2-Methyl-4-(prop-2-enoxymethyl)-2-propyl-1,3-dioxolane
CID 12496852

Frequently Asked Questions

What is the IUPAC name of 4-(2-prop-2-enoxyethyl)-1,3-dioxolane?
The IUPAC name of 4-(2-prop-2-enoxyethyl)-1,3-dioxolane (CID 134822064) is 4-(2-prop-2-enoxyethyl)-1,3-dioxolane.
What is the SMILES notation for 4-(2-prop-2-enoxyethyl)-1,3-dioxolane?
The canonical SMILES for 4-(2-prop-2-enoxyethyl)-1,3-dioxolane is C=CCOCCC1COCO1.
What is the InChIKey of 4-(2-prop-2-enoxyethyl)-1,3-dioxolane?
The InChIKey is VVWZAEVPZZGLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-2-4-9-5-3-8-6-10-7-11-8/h2,8H,1,3-7H2.
What are the key properties of 4-(2-prop-2-enoxyethyl)-1,3-dioxolane?
4-(2-prop-2-enoxyethyl)-1,3-dioxolane has a molecular weight of 158.20 g/mol, XLogP of 0.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-prop-2-enoxyethyl)-1,3-dioxolane is sourced from PubChem (CID 134822064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).