2,4-dimethyl-2-(2-methylpropyl)-4-(prop-1-enoxymethyl)-1,3-dioxolane;2-ethyl-2,4-dimethyl-4-(prop-1-enoxymethyl)-1,3-dioxolane

C24H44O6 — CID 158988815

IUPAC2,4-dimethyl-2-(2-methylpropyl)-4-(prop-1-enoxymethyl)-1,3-dioxolane;2-ethyl-2,4-dimethyl-4-(prop-1-enoxymethyl)-1,3-dioxolane
SMILESCC=COCC1(C)COC(C)(CC(C)C)O1.CC=COCC1(C)COC(C)(CC)O1
InChIInChI=1S/C13H24O3.C11H20O3/c1-6-7-14-9-12(4)10-15-13(5,16-12)8-11(2)3;1-5-7-12-8-10(3)9-13-11(4,6-2)14-10/h6-7,11H,8-10H2,1-5H3;5,7H,6,8-9H2,1-4H3
InChIKeyJPXGOWFJGHEFSU-UHFFFAOYSA-N
MW428.61 g/mol
LogP5.57
Rot. Bonds9

About 2,4-dimethyl-2-(2-methylpropyl)-4-(prop-1-enoxymethyl)-1,3-dioxolane;2-ethyl-2,4-dimethyl-4-(prop-1-enoxymethyl)-1,3-dioxolane

2,4-dimethyl-2-(2-methylpropyl)-4-(prop-1-enoxymethyl)-1,3-dioxolane;2-ethyl-2,4-dimethyl-4-(prop-1-enoxymethyl)-1,3-dioxolane (PubChem CID 158988815) has the molecular formula C24H44O6 and a molecular weight of 428.61 g/mol. Its IUPAC name is 2,4-dimethyl-2-(2-methylpropyl)-4-(prop-1-enoxymethyl)-1,3-dioxolane;2-ethyl-2,4-dimethyl-4-(prop-1-enoxymethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2,4-dimethyl-2-(2-methylpropyl)-4-(prop-1-enoxymethyl)-1,3-dioxolane;2-ethyl-2,4-dimethyl-4-(prop-1-enoxymethyl)-1,3-dioxolane
PubChem CID158988815
Molecular FormulaC24H44O6
Molecular Weight428.61 g/mol
Exact Mass428.31
IUPAC Name2,4-dimethyl-2-(2-methylpropyl)-4-(prop-1-enoxymethyl)-1,3-dioxolane;2-ethyl-2,4-dimethyl-4-(prop-1-enoxymethyl)-1,3-dioxolane
SMILESCC=COCC1(C)COC(C)(CC(C)C)O1.CC=COCC1(C)COC(C)(CC)O1
InChIInChI=1S/C13H24O3.C11H20O3/c1-6-7-14-9-12(4)10-15-13(5,16-12)8-11(2)3;1-5-7-12-8-10(3)9-13-11(4,6-2)14-10/h6-7,11H,8-10H2,1-5H3;5,7H,6,8-9H2,1-4H3
InChIKeyJPXGOWFJGHEFSU-UHFFFAOYSA-N
XLogP5.57
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.61
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2,4-dimethyl-2-(2-methylpropyl)-4-(prop-1-enoxymethyl)-1,3-dioxolane;2-ethyl-2,4-dimethyl-4-(prop-1-enoxymethyl)-1,3-dioxolane with MolForge

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Related Compounds

2-ethyl-2,4-dimethyl-4-prop-1-enoxy-1,3-dioxolane
CID 151741566
4-methyl-4-(prop-1-enoxymethyl)-1,3-dioxolan-2-one
CID 139625615
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxocane
CID 176603091
2,5,5-trimethyl-2-(2-methylbutyl)-1,3-dioxane
CID 129172366
(2-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl) 2-methylprop-2-enoate
CID 150411058
2,2-diethyl-6-methyl-6-(2-methylpropyl)morpholine
CID 114494575
(2-methyloxiran-2-yl)methyl but-2-enoate
CID 85377354
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiane 1,1-dioxide
CID 176603372
2-methyl-4-[[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methoxymethyl]-2-(2-methylpropyl)-1,3-dioxolane
CID 58219208
2-[(E)-prop-1-enoxy]butane
CID 22498076
2-methyl-2-(sulfanyloxymethyl)oxirane
CID 141439359
2-bromo-1-[(2-methyloxiran-2-yl)methoxy]ethanol
CID 126552956

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-(2-methylpropyl)-4-(prop-1-enoxymethyl)-1,3-dioxolane;2-ethyl-2,4-dimethyl-4-(prop-1-enoxymethyl)-1,3-dioxolane?
The IUPAC name of 2,4-dimethyl-2-(2-methylpropyl)-4-(prop-1-enoxymethyl)-1,3-dioxolane;2-ethyl-2,4-dimethyl-4-(prop-1-enoxymethyl)-1,3-dioxolane (CID 158988815) is 2,4-dimethyl-2-(2-methylpropyl)-4-(prop-1-enoxymethyl)-1,3-dioxolane;2-ethyl-2,4-dimethyl-4-(prop-1-enoxymethyl)-1,3-dioxolane.
What is the SMILES notation for 2,4-dimethyl-2-(2-methylpropyl)-4-(prop-1-enoxymethyl)-1,3-dioxolane;2-ethyl-2,4-dimethyl-4-(prop-1-enoxymethyl)-1,3-dioxolane?
The canonical SMILES for 2,4-dimethyl-2-(2-methylpropyl)-4-(prop-1-enoxymethyl)-1,3-dioxolane;2-ethyl-2,4-dimethyl-4-(prop-1-enoxymethyl)-1,3-dioxolane is CC=COCC1(C)COC(C)(CC(C)C)O1.CC=COCC1(C)COC(C)(CC)O1.
What is the InChIKey of 2,4-dimethyl-2-(2-methylpropyl)-4-(prop-1-enoxymethyl)-1,3-dioxolane;2-ethyl-2,4-dimethyl-4-(prop-1-enoxymethyl)-1,3-dioxolane?
The InChIKey is JPXGOWFJGHEFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3.C11H20O3/c1-6-7-14-9-12(4)10-15-13(5,16-12)8-11(2)3;1-5-7-12-8-10(3)9-13-11(4,6-2)14-10/h6-7,11H,8-10H2,1-5H3;5,7H,6,8-9H2,1-4H3.
What are the key properties of 2,4-dimethyl-2-(2-methylpropyl)-4-(prop-1-enoxymethyl)-1,3-dioxolane;2-ethyl-2,4-dimethyl-4-(prop-1-enoxymethyl)-1,3-dioxolane?
2,4-dimethyl-2-(2-methylpropyl)-4-(prop-1-enoxymethyl)-1,3-dioxolane;2-ethyl-2,4-dimethyl-4-(prop-1-enoxymethyl)-1,3-dioxolane has a molecular weight of 428.61 g/mol, XLogP of 5.57, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-(2-methylpropyl)-4-(prop-1-enoxymethyl)-1,3-dioxolane;2-ethyl-2,4-dimethyl-4-(prop-1-enoxymethyl)-1,3-dioxolane is sourced from PubChem (CID 158988815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).