ethanol;4-methyl-1,3-dioxolan-2-one

C6H12O4 — CID 70419007

IUPACethanol;4-methyl-1,3-dioxolan-2-one
SMILESCC1COC(=O)O1.CCO
InChIInChI=1S/C4H6O3.C2H6O/c1-3-2-6-4(5)7-3;1-2-3/h3H,2H2,1H3;3H,2H2,1H3
InChIKeyZPFSKTWVLLOECW-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.54
Rot. Bonds

About ethanol;4-methyl-1,3-dioxolan-2-one

ethanol;4-methyl-1,3-dioxolan-2-one (PubChem CID 70419007) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is ethanol;4-methyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Nameethanol;4-methyl-1,3-dioxolan-2-one
PubChem CID70419007
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Nameethanol;4-methyl-1,3-dioxolan-2-one
SMILESCC1COC(=O)O1.CCO
InChIInChI=1S/C4H6O3.C2H6O/c1-3-2-6-4(5)7-3;1-2-3/h3H,2H2,1H3;3H,2H2,1H3
InChIKeyZPFSKTWVLLOECW-UHFFFAOYSA-N
XLogP0.54
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Glycerol carbonate
CID 97944
(4R,5R)-4,5-Dimethyl-1,3-dioxolan-2-one
CID 10654203
rel-(4R,5S)-4,5-Dimethyl-1,3-dioxolan-2-one
CID 11434932
Trans-2,3-Butylene carbonate
CID 10080377
Npc200692
CID 536113
(4R)-4-(methoxymethyl)-1,3-dioxolan-2-one
CID 13706498
(S)-4-(Hydroxymethyl)-1,3-dioxolan-2-one
CID 10080384
4-(Methoxymethyl)-1,3-dioxolan-2-one
CID 4384485
4-{[(Propan-2-yl)oxy]methyl}-1,3-dioxolan-2-one
CID 42610261
1-Carboxyoxypropan-2-yl hydrogen carbonate
CID 18183689
Methyl glycerol carbonate
CID 18401225
Methyl (1,3-dioxolan-4-yl)methylcarbonate
CID 21305994

Frequently Asked Questions

What is the IUPAC name of ethanol;4-methyl-1,3-dioxolan-2-one?
The IUPAC name of ethanol;4-methyl-1,3-dioxolan-2-one (CID 70419007) is ethanol;4-methyl-1,3-dioxolan-2-one.
What is the SMILES notation for ethanol;4-methyl-1,3-dioxolan-2-one?
The canonical SMILES for ethanol;4-methyl-1,3-dioxolan-2-one is CC1COC(=O)O1.CCO.
What is the InChIKey of ethanol;4-methyl-1,3-dioxolan-2-one?
The InChIKey is ZPFSKTWVLLOECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O3.C2H6O/c1-3-2-6-4(5)7-3;1-2-3/h3H,2H2,1H3;3H,2H2,1H3.
What are the key properties of ethanol;4-methyl-1,3-dioxolan-2-one?
ethanol;4-methyl-1,3-dioxolan-2-one has a molecular weight of 148.16 g/mol, XLogP of 0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;4-methyl-1,3-dioxolan-2-one is sourced from PubChem (CID 70419007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).