(4-ethenyl-2-methyl-1,3-dioxolan-2-yl)methyl propanoate

C10H16O4 — CID 58696610

IUPAC(4-ethenyl-2-methyl-1,3-dioxolan-2-yl)methyl propanoate
SMILESC=CC1COC(C)(COC(=O)CC)O1
InChIInChI=1S/C10H16O4/c1-4-8-6-13-10(3,14-8)7-12-9(11)5-2/h4,8H,1,5-7H2,2-3H3
InChIKeyIMAXLLTUYCEPJM-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.26
Rot. Bonds4

About (4-ethenyl-2-methyl-1,3-dioxolan-2-yl)methyl propanoate

(4-ethenyl-2-methyl-1,3-dioxolan-2-yl)methyl propanoate (PubChem CID 58696610) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (4-ethenyl-2-methyl-1,3-dioxolan-2-yl)methyl propanoate.

Molecular Properties

Compound Name(4-ethenyl-2-methyl-1,3-dioxolan-2-yl)methyl propanoate
PubChem CID58696610
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(4-ethenyl-2-methyl-1,3-dioxolan-2-yl)methyl propanoate
SMILESC=CC1COC(C)(COC(=O)CC)O1
InChIInChI=1S/C10H16O4/c1-4-8-6-13-10(3,14-8)7-12-9(11)5-2/h4,8H,1,5-7H2,2-3H3
InChIKeyIMAXLLTUYCEPJM-UHFFFAOYSA-N
XLogP1.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (4-ethenyl-2-methyl-1,3-dioxolan-2-yl)methyl propanoate?
The IUPAC name of (4-ethenyl-2-methyl-1,3-dioxolan-2-yl)methyl propanoate (CID 58696610) is (4-ethenyl-2-methyl-1,3-dioxolan-2-yl)methyl propanoate.
What is the SMILES notation for (4-ethenyl-2-methyl-1,3-dioxolan-2-yl)methyl propanoate?
The canonical SMILES for (4-ethenyl-2-methyl-1,3-dioxolan-2-yl)methyl propanoate is C=CC1COC(C)(COC(=O)CC)O1.
What is the InChIKey of (4-ethenyl-2-methyl-1,3-dioxolan-2-yl)methyl propanoate?
The InChIKey is IMAXLLTUYCEPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-4-8-6-13-10(3,14-8)7-12-9(11)5-2/h4,8H,1,5-7H2,2-3H3.
What are the key properties of (4-ethenyl-2-methyl-1,3-dioxolan-2-yl)methyl propanoate?
(4-ethenyl-2-methyl-1,3-dioxolan-2-yl)methyl propanoate has a molecular weight of 200.23 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenyl-2-methyl-1,3-dioxolan-2-yl)methyl propanoate is sourced from PubChem (CID 58696610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).