4-ethyl-1,3-dioxolane;methane

C6H14O2 — CID 158064342

IUPAC4-ethyl-1,3-dioxolane;methane
SMILESC.CCC1COCO1
InChIInChI=1S/C5H10O2.CH4/c1-2-5-3-6-4-7-5;/h5H,2-4H2,1H3;1H4
InChIKeyFLAQZEBMGSLCLF-UHFFFAOYSA-N
MW118.18 g/mol
LogP1.41
Rot. Bonds1

About 4-ethyl-1,3-dioxolane;methane

4-ethyl-1,3-dioxolane;methane (PubChem CID 158064342) has the molecular formula C6H14O2 and a molecular weight of 118.18 g/mol. Its IUPAC name is 4-ethyl-1,3-dioxolane;methane.

Molecular Properties

Compound Name4-ethyl-1,3-dioxolane;methane
PubChem CID158064342
Molecular FormulaC6H14O2
Molecular Weight118.18 g/mol
Exact Mass118.10
IUPAC Name4-ethyl-1,3-dioxolane;methane
SMILESC.CCC1COCO1
InChIInChI=1S/C5H10O2.CH4/c1-2-5-3-6-4-7-5;/h5H,2-4H2,1H3;1H4
InChIKeyFLAQZEBMGSLCLF-UHFFFAOYSA-N
XLogP1.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-1,3-dioxolane;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-ethyl-1,3,5-trioxepane
CID 139790395
tetrakis(2-ethyloxirane);methane
CID 162010408
6-propyl-1,3,5-trioxepane
CID 139790394
ethane;2-ethyl-1,4-dioxane
CID 170734415
CID 59677627
CID 59677627
dimethylsilane;2-ethyloxirane
CID 175208147
1,3-dioxolan-4-ylmethyl(trimethyl)azanium bromide
CID 23273521
ethane-1,2-diol;2-ethyloxirane
CID 23290341
4-(prop-2-ynylsulfonylmethyl)-1,3-dioxolane
CID 89314118
ethane;2-ethyloxirane;hexane
CID 91113410
2-ethyl-1,4,7,10,13,16-hexaoxacyclooctadecane;isocyanic acid
CID 91046910
1-[[(4R)-1,3-dioxolan-4-yl]methyl]cyclopropane-1-thiol
CID 163856921

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,3-dioxolane;methane?
The IUPAC name of 4-ethyl-1,3-dioxolane;methane (CID 158064342) is 4-ethyl-1,3-dioxolane;methane.
What is the SMILES notation for 4-ethyl-1,3-dioxolane;methane?
The canonical SMILES for 4-ethyl-1,3-dioxolane;methane is C.CCC1COCO1.
What is the InChIKey of 4-ethyl-1,3-dioxolane;methane?
The InChIKey is FLAQZEBMGSLCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.CH4/c1-2-5-3-6-4-7-5;/h5H,2-4H2,1H3;1H4.
What are the key properties of 4-ethyl-1,3-dioxolane;methane?
4-ethyl-1,3-dioxolane;methane has a molecular weight of 118.18 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,3-dioxolane;methane is sourced from PubChem (CID 158064342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).