(2-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl) 2-methylprop-2-enoate

C11H18O4 — CID 150411058

IUPAC(2-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C)COC(C)(CC)O1
InChIInChI=1S/C11H18O4/c1-6-10(4)13-7-11(5,15-10)14-9(12)8(2)3/h2,6-7H2,1,3-5H3
InChIKeyHFUCNKMAYKPMSM-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.99
Rot. Bonds3

About (2-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl) 2-methylprop-2-enoate

(2-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl) 2-methylprop-2-enoate (PubChem CID 150411058) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is (2-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl) 2-methylprop-2-enoate
PubChem CID150411058
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name(2-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C)COC(C)(CC)O1
InChIInChI=1S/C11H18O4/c1-6-10(4)13-7-11(5,15-10)14-9(12)8(2)3/h2,6-7H2,1,3-5H3
InChIKeyHFUCNKMAYKPMSM-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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2-Propenoic acid, 2-methyl-, 2-[2-(2-methoxyethoxy)ethoxy]ethyl ester
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2-Propenoic acid, 2-methyl-, 1,3-dioxolan-4-ylmethyl ester
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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl) 2-methylprop-2-enoate?
The IUPAC name of (2-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl) 2-methylprop-2-enoate (CID 150411058) is (2-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (2-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl) 2-methylprop-2-enoate?
The canonical SMILES for (2-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1(C)COC(C)(CC)O1.
What is the InChIKey of (2-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl) 2-methylprop-2-enoate?
The InChIKey is HFUCNKMAYKPMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-6-10(4)13-7-11(5,15-10)14-9(12)8(2)3/h2,6-7H2,1,3-5H3.
What are the key properties of (2-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl) 2-methylprop-2-enoate?
(2-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl) 2-methylprop-2-enoate has a molecular weight of 214.26 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 150411058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).