1-[2-methyl-4-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]oxolan-2-yl]ethanone

C15H26O4 — CID 58219228

IUPAC1-[2-methyl-4-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]oxolan-2-yl]ethanone
SMILESCC(=O)C1(C)CC(C2COC(C)(CC(C)C)O2)CO1
InChIInChI=1S/C15H26O4/c1-10(2)6-15(5)18-9-13(19-15)12-7-14(4,11(3)16)17-8-12/h10,12-13H,6-9H2,1-5H3
InChIKeyLJFCMNPADKUNLI-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.55
Rot. Bonds4

About 1-[2-methyl-4-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]oxolan-2-yl]ethanone

1-[2-methyl-4-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]oxolan-2-yl]ethanone (PubChem CID 58219228) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[2-methyl-4-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]oxolan-2-yl]ethanone.

Molecular Properties

Compound Name1-[2-methyl-4-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]oxolan-2-yl]ethanone
PubChem CID58219228
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name1-[2-methyl-4-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]oxolan-2-yl]ethanone
SMILESCC(=O)C1(C)CC(C2COC(C)(CC(C)C)O2)CO1
InChIInChI=1S/C15H26O4/c1-10(2)6-15(5)18-9-13(19-15)12-7-14(4,11(3)16)17-8-12/h10,12-13H,6-9H2,1-5H3
InChIKeyLJFCMNPADKUNLI-UHFFFAOYSA-N
XLogP2.55
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]oxolan-2-yl]ethanone?
The IUPAC name of 1-[2-methyl-4-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]oxolan-2-yl]ethanone (CID 58219228) is 1-[2-methyl-4-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]oxolan-2-yl]ethanone.
What is the SMILES notation for 1-[2-methyl-4-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]oxolan-2-yl]ethanone?
The canonical SMILES for 1-[2-methyl-4-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]oxolan-2-yl]ethanone is CC(=O)C1(C)CC(C2COC(C)(CC(C)C)O2)CO1.
What is the InChIKey of 1-[2-methyl-4-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]oxolan-2-yl]ethanone?
The InChIKey is LJFCMNPADKUNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-10(2)6-15(5)18-9-13(19-15)12-7-14(4,11(3)16)17-8-12/h10,12-13H,6-9H2,1-5H3.
What are the key properties of 1-[2-methyl-4-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]oxolan-2-yl]ethanone?
1-[2-methyl-4-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]oxolan-2-yl]ethanone has a molecular weight of 270.37 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]oxolan-2-yl]ethanone is sourced from PubChem (CID 58219228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).