2-methyl-4-(4-methylpentan-2-yloxy)-2-(2-methylpropyl)-1,3-dioxolane

C14H28O3 — CID 22072724

IUPAC2-methyl-4-(4-methylpentan-2-yloxy)-2-(2-methylpropyl)-1,3-dioxolane
SMILESCC(C)CC(C)OC1COC(C)(CC(C)C)O1
InChIInChI=1S/C14H28O3/c1-10(2)7-12(5)16-13-9-15-14(6,17-13)8-11(3)4/h10-13H,7-9H2,1-6H3
InChIKeyQANMVFRLXUDBSW-UHFFFAOYSA-N
MW244.37 g/mol
LogP3.57
Rot. Bonds6

About 2-methyl-4-(4-methylpentan-2-yloxy)-2-(2-methylpropyl)-1,3-dioxolane

2-methyl-4-(4-methylpentan-2-yloxy)-2-(2-methylpropyl)-1,3-dioxolane (PubChem CID 22072724) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is 2-methyl-4-(4-methylpentan-2-yloxy)-2-(2-methylpropyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-4-(4-methylpentan-2-yloxy)-2-(2-methylpropyl)-1,3-dioxolane
PubChem CID22072724
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name2-methyl-4-(4-methylpentan-2-yloxy)-2-(2-methylpropyl)-1,3-dioxolane
SMILESCC(C)CC(C)OC1COC(C)(CC(C)C)O1
InChIInChI=1S/C14H28O3/c1-10(2)7-12(5)16-13-9-15-14(6,17-13)8-11(3)4/h10-13H,7-9H2,1-6H3
InChIKeyQANMVFRLXUDBSW-UHFFFAOYSA-N
XLogP3.57
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylpentan-2-yloxy)-2-(2-methylpropyl)-1,3-dioxolane?
The IUPAC name of 2-methyl-4-(4-methylpentan-2-yloxy)-2-(2-methylpropyl)-1,3-dioxolane (CID 22072724) is 2-methyl-4-(4-methylpentan-2-yloxy)-2-(2-methylpropyl)-1,3-dioxolane.
What is the SMILES notation for 2-methyl-4-(4-methylpentan-2-yloxy)-2-(2-methylpropyl)-1,3-dioxolane?
The canonical SMILES for 2-methyl-4-(4-methylpentan-2-yloxy)-2-(2-methylpropyl)-1,3-dioxolane is CC(C)CC(C)OC1COC(C)(CC(C)C)O1.
What is the InChIKey of 2-methyl-4-(4-methylpentan-2-yloxy)-2-(2-methylpropyl)-1,3-dioxolane?
The InChIKey is QANMVFRLXUDBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-10(2)7-12(5)16-13-9-15-14(6,17-13)8-11(3)4/h10-13H,7-9H2,1-6H3.
What are the key properties of 2-methyl-4-(4-methylpentan-2-yloxy)-2-(2-methylpropyl)-1,3-dioxolane?
2-methyl-4-(4-methylpentan-2-yloxy)-2-(2-methylpropyl)-1,3-dioxolane has a molecular weight of 244.37 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylpentan-2-yloxy)-2-(2-methylpropyl)-1,3-dioxolane is sourced from PubChem (CID 22072724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).