(2S)-2-ethyl-4-methyl-1,3-dioxolane

C6H12O2 — CID 59047916

IUPAC(2S)-2-ethyl-4-methyl-1,3-dioxolane
SMILESCC[C@H]1OCC(C)O1
InChIInChI=1S/C6H12O2/c1-3-6-7-4-5(2)8-6/h5-6H,3-4H2,1-2H3/t5?,6-/m0/s1
InChIKeyCSZCLQLJVFLXLI-GDVGLLTNSA-N
MW116.16 g/mol
LogP1.16
Rot. Bonds1

About (2S)-2-ethyl-4-methyl-1,3-dioxolane

(2S)-2-ethyl-4-methyl-1,3-dioxolane (PubChem CID 59047916) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is (2S)-2-ethyl-4-methyl-1,3-dioxolane.

Molecular Properties

Compound Name(2S)-2-ethyl-4-methyl-1,3-dioxolane
PubChem CID59047916
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name(2S)-2-ethyl-4-methyl-1,3-dioxolane
SMILESCC[C@H]1OCC(C)O1
InChIInChI=1S/C6H12O2/c1-3-6-7-4-5(2)8-6/h5-6H,3-4H2,1-2H3/t5?,6-/m0/s1
InChIKeyCSZCLQLJVFLXLI-GDVGLLTNSA-N
XLogP1.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-4-methyl-1,3-dioxolane?
The IUPAC name of (2S)-2-ethyl-4-methyl-1,3-dioxolane (CID 59047916) is (2S)-2-ethyl-4-methyl-1,3-dioxolane.
What is the SMILES notation for (2S)-2-ethyl-4-methyl-1,3-dioxolane?
The canonical SMILES for (2S)-2-ethyl-4-methyl-1,3-dioxolane is CC[C@H]1OCC(C)O1.
What is the InChIKey of (2S)-2-ethyl-4-methyl-1,3-dioxolane?
The InChIKey is CSZCLQLJVFLXLI-GDVGLLTNSA-N. The full InChI is InChI=1S/C6H12O2/c1-3-6-7-4-5(2)8-6/h5-6H,3-4H2,1-2H3/t5?,6-/m0/s1.
What are the key properties of (2S)-2-ethyl-4-methyl-1,3-dioxolane?
(2S)-2-ethyl-4-methyl-1,3-dioxolane has a molecular weight of 116.16 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-4-methyl-1,3-dioxolane is sourced from PubChem (CID 59047916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).