(2,2-dimethyl-1,3-dioxolan-4-yl)methyl but-3-enoate

C10H16O4 — CID 71372976

IUPAC(2,2-dimethyl-1,3-dioxolan-4-yl)methyl but-3-enoate
SMILESC=CCC(=O)OCC1COC(C)(C)O1
InChIInChI=1S/C10H16O4/c1-4-5-9(11)12-6-8-7-13-10(2,3)14-8/h4,8H,1,5-7H2,2-3H3
InChIKeyURGOCQSXARMBKK-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.26
Rot. Bonds4

About (2,2-dimethyl-1,3-dioxolan-4-yl)methyl but-3-enoate

(2,2-dimethyl-1,3-dioxolan-4-yl)methyl but-3-enoate (PubChem CID 71372976) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (2,2-dimethyl-1,3-dioxolan-4-yl)methyl but-3-enoate.

Molecular Properties

Compound Name(2,2-dimethyl-1,3-dioxolan-4-yl)methyl but-3-enoate
PubChem CID71372976
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(2,2-dimethyl-1,3-dioxolan-4-yl)methyl but-3-enoate
SMILESC=CCC(=O)OCC1COC(C)(C)O1
InChIInChI=1S/C10H16O4/c1-4-5-9(11)12-6-8-7-13-10(2,3)14-8/h4,8H,1,5-7H2,2-3H3
InChIKeyURGOCQSXARMBKK-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 (2,2-dimethyl-1,3-dioxolan-4-yl)methyl but-3-enoate?
The IUPAC name of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl but-3-enoate (CID 71372976) is (2,2-dimethyl-1,3-dioxolan-4-yl)methyl but-3-enoate.
What is the SMILES notation for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl but-3-enoate?
The canonical SMILES for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl but-3-enoate is C=CCC(=O)OCC1COC(C)(C)O1.
What is the InChIKey of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl but-3-enoate?
The InChIKey is URGOCQSXARMBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-4-5-9(11)12-6-8-7-13-10(2,3)14-8/h4,8H,1,5-7H2,2-3H3.
What are the key properties of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl but-3-enoate?
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl but-3-enoate 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 (2,2-dimethyl-1,3-dioxolan-4-yl)methyl but-3-enoate is sourced from PubChem (CID 71372976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).