methyl 2-(6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl)acetate

C11H18O4 — CID 73102692

IUPACmethyl 2-(6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl)acetate
SMILESC=CC1CC(CC(=O)OC)OC(C)(C)O1
InChIInChI=1S/C11H18O4/c1-5-8-6-9(7-10(12)13-4)15-11(2,3)14-8/h5,8-9H,1,6-7H2,2-4H3
InChIKeyIKPJCBLQMNTXJM-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.65
Rot. Bonds3

About methyl 2-(6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl)acetate

methyl 2-(6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl)acetate (PubChem CID 73102692) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is methyl 2-(6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl)acetate
PubChem CID73102692
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Namemethyl 2-(6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl)acetate
SMILESC=CC1CC(CC(=O)OC)OC(C)(C)O1
InChIInChI=1S/C11H18O4/c1-5-8-6-9(7-10(12)13-4)15-11(2,3)14-8/h5,8-9H,1,6-7H2,2-4H3
InChIKeyIKPJCBLQMNTXJM-UHFFFAOYSA-N
XLogP1.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.65
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 methyl 2-(6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl)acetate?
The IUPAC name of methyl 2-(6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl)acetate (CID 73102692) is methyl 2-(6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl)acetate.
What is the SMILES notation for methyl 2-(6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl)acetate?
The canonical SMILES for methyl 2-(6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl)acetate is C=CC1CC(CC(=O)OC)OC(C)(C)O1.
What is the InChIKey of methyl 2-(6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl)acetate?
The InChIKey is IKPJCBLQMNTXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-5-8-6-9(7-10(12)13-4)15-11(2,3)14-8/h5,8-9H,1,6-7H2,2-4H3.
What are the key properties of methyl 2-(6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl)acetate?
methyl 2-(6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl)acetate has a molecular weight of 214.26 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl)acetate is sourced from PubChem (CID 73102692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).