5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methyl-3-methylideneoxolan-2-one

C11H16O4 — CID 18716223

IUPAC5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methyl-3-methylideneoxolan-2-one
SMILESC=C1C(=O)OC(C2COC(C)(C)O2)C1C
InChIInChI=1S/C11H16O4/c1-6-7(2)10(12)14-9(6)8-5-13-11(3,4)15-8/h6,8-9H,2,5H2,1,3-4H3
InChIKeyHWXFIEZWLMQTHZ-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.26
Rot. Bonds1

About 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methyl-3-methylideneoxolan-2-one

5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methyl-3-methylideneoxolan-2-one (PubChem CID 18716223) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methyl-3-methylideneoxolan-2-one.

Molecular Properties

Compound Name5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methyl-3-methylideneoxolan-2-one
PubChem CID18716223
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methyl-3-methylideneoxolan-2-one
SMILESC=C1C(=O)OC(C2COC(C)(C)O2)C1C
InChIInChI=1S/C11H16O4/c1-6-7(2)10(12)14-9(6)8-5-13-11(3,4)15-8/h6,8-9H,2,5H2,1,3-4H3
InChIKeyHWXFIEZWLMQTHZ-UHFFFAOYSA-N
XLogP1.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methyl-3-methylideneoxolan-2-one with MolForge

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Launch Full Analysis

Related Compounds

Methyl 4-(2-methyl-1,3-dioxolan-2-yl)-2-methylidenebutanoate
CID 134860140
5-Acetyloxy-4-(2-methyl-1,3-dioxolan-2-yl)-2-methylidenepentanoic acid
CID 57048731
5-Acetyloxy-4-(4-butyl-2-methyl-1,3-dioxolan-2-yl)-2-methylidenepentanoic acid
CID 57109720
5-Acetyloxy-2-methylidene-4-(2,4,5-trimethyl-1,3-dioxolan-2-yl)pentanoic acid
CID 57194714
ethyl 2-[(3aR,5S,6R,6aR)-5-ethyl-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]prop-2-enoate
CID 59638518
6-Methyl-3-methylene-1,7-dioxaspiro[4.4]nonan-2-one
CID 68169654
Ethyl 2-[[4-acetyloxy-2,2-diethyl-5-(formyloxymethyl)-1,3-dioxolan-4-yl]methyl]prop-2-enoate
CID 87942430
(4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-3-methylideneoxolan-2-one
CID 88981683
6-Ethyl-3-methylidene-1,7-dioxaspiro[4.4]nonan-2-one
CID 89215662
6,9-Dimethyl-3-methylidene-1,7-dioxaspiro[4.4]nonan-2-one
CID 89215665
5-Methyl-3-methylidene-5-(2-oxo-1,3-dioxolan-4-yl)oxan-2-one
CID 89215799
6-Ethyl-9-methyl-3-methylidene-1,7-dioxaspiro[4.4]nonan-2-one
CID 89215806

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methyl-3-methylideneoxolan-2-one?
The IUPAC name of 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methyl-3-methylideneoxolan-2-one (CID 18716223) is 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methyl-3-methylideneoxolan-2-one.
What is the SMILES notation for 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methyl-3-methylideneoxolan-2-one?
The canonical SMILES for 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methyl-3-methylideneoxolan-2-one is C=C1C(=O)OC(C2COC(C)(C)O2)C1C.
What is the InChIKey of 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methyl-3-methylideneoxolan-2-one?
The InChIKey is HWXFIEZWLMQTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-6-7(2)10(12)14-9(6)8-5-13-11(3,4)15-8/h6,8-9H,2,5H2,1,3-4H3.
What are the key properties of 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methyl-3-methylideneoxolan-2-one?
5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methyl-3-methylideneoxolan-2-one has a molecular weight of 212.24 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methyl-3-methylideneoxolan-2-one is sourced from PubChem (CID 18716223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).