(2-methoxy-2-methyl-1,3-dioxolan-4-yl) 2-methylidenebutanoate

C10H16O5 — CID 91327600

IUPAC(2-methoxy-2-methyl-1,3-dioxolan-4-yl) 2-methylidenebutanoate
SMILESC=C(CC)C(=O)OC1COC(C)(OC)O1
InChIInChI=1S/C10H16O5/c1-5-7(2)9(11)14-8-6-13-10(3,12-4)15-8/h8H,2,5-6H2,1,3-4H3
InChIKeyJNGCYWKPXZUSIL-UHFFFAOYSA-N
MW216.23 g/mol
LogP1.19
Rot. Bonds4

About (2-methoxy-2-methyl-1,3-dioxolan-4-yl) 2-methylidenebutanoate

(2-methoxy-2-methyl-1,3-dioxolan-4-yl) 2-methylidenebutanoate (PubChem CID 91327600) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is (2-methoxy-2-methyl-1,3-dioxolan-4-yl) 2-methylidenebutanoate.

Molecular Properties

Compound Name(2-methoxy-2-methyl-1,3-dioxolan-4-yl) 2-methylidenebutanoate
PubChem CID91327600
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name(2-methoxy-2-methyl-1,3-dioxolan-4-yl) 2-methylidenebutanoate
SMILESC=C(CC)C(=O)OC1COC(C)(OC)O1
InChIInChI=1S/C10H16O5/c1-5-7(2)9(11)14-8-6-13-10(3,12-4)15-8/h8H,2,5-6H2,1,3-4H3
InChIKeyJNGCYWKPXZUSIL-UHFFFAOYSA-N
XLogP1.19
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(Acetoxy)-ethoxy]ethyl methacrylate
CID 11106763
2-(1-Methoxyethoxy)ethyl methacrylate
CID 15529245
Ethylene-ethyl acrylate
CID 19079980
(2-Oxo-1,3-dioxolan-4-yl)methacrylate
CID 20366356
Dioxolanylmethyl methacrylate
CID 21705277
Butandiol dimethacrylate
CID 21868034
(2-Tetrahydrofuranyloxy)ethyl methacrylate
CID 67660122
2,2-Dimethyl-1,3-dioxolane-4-methyl methacrylate
CID 69535483
Bis[(2-methacryloyloxy)ethoxymethyl]ether
CID 102471988
2-(2-Methoxyethoxy) ethoxyethyl methacrylate
CID 141487660
alpha,omega-Bis(methacryloyloxy)ethylene carbonate
CID 137331662
(2-Ethoxytetrahydrofuran-2-yloxyethyl methacrylate)
CID 167713519

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-methyl-1,3-dioxolan-4-yl) 2-methylidenebutanoate?
The IUPAC name of (2-methoxy-2-methyl-1,3-dioxolan-4-yl) 2-methylidenebutanoate (CID 91327600) is (2-methoxy-2-methyl-1,3-dioxolan-4-yl) 2-methylidenebutanoate.
What is the SMILES notation for (2-methoxy-2-methyl-1,3-dioxolan-4-yl) 2-methylidenebutanoate?
The canonical SMILES for (2-methoxy-2-methyl-1,3-dioxolan-4-yl) 2-methylidenebutanoate is C=C(CC)C(=O)OC1COC(C)(OC)O1.
What is the InChIKey of (2-methoxy-2-methyl-1,3-dioxolan-4-yl) 2-methylidenebutanoate?
The InChIKey is JNGCYWKPXZUSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-5-7(2)9(11)14-8-6-13-10(3,12-4)15-8/h8H,2,5-6H2,1,3-4H3.
What are the key properties of (2-methoxy-2-methyl-1,3-dioxolan-4-yl) 2-methylidenebutanoate?
(2-methoxy-2-methyl-1,3-dioxolan-4-yl) 2-methylidenebutanoate has a molecular weight of 216.23 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-methyl-1,3-dioxolan-4-yl) 2-methylidenebutanoate is sourced from PubChem (CID 91327600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).