diethyl carbonate;2-methyloxolane

C10H20O4 — CID 174662331

IUPACdiethyl carbonate;2-methyloxolane
SMILESCC1CCCO1.CCOC(=O)OCC
InChIInChI=1S/C5H10O3.C5H10O/c1-3-7-5(6)8-4-2;1-5-3-2-4-6-5/h3-4H2,1-2H3;5H,2-4H2,1H3
InChIKeyZQSFTFTVJMOXLJ-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.36
Rot. Bonds2

About diethyl carbonate;2-methyloxolane

diethyl carbonate;2-methyloxolane (PubChem CID 174662331) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is diethyl carbonate;2-methyloxolane.

Molecular Properties

Compound Namediethyl carbonate;2-methyloxolane
PubChem CID174662331
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Namediethyl carbonate;2-methyloxolane
SMILESCC1CCCO1.CCOC(=O)OCC
InChIInChI=1S/C5H10O3.C5H10O/c1-3-7-5(6)8-4-2;1-5-3-2-4-6-5/h3-4H2,1-2H3;5H,2-4H2,1H3
InChIKeyZQSFTFTVJMOXLJ-UHFFFAOYSA-N
XLogP2.36
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyloxane;propane
CID 171074580
ethane;formaldehyde;2-methyloxolane
CID 145378358
ethyl 3-oxo-3-[(2S)-oxolan-2-yl]propanoate
CID 40787289
ethyl (2R,3S)-2-propan-2-yloxane-3-carboxylate
CID 98010252
3-methylbutanoic acid;2-methyloxolane
CID 130176463
ethyl 3-methyl-2-(oxolane-2-carbonyl)butanoate
CID 65328489
2-methoxyethanol;2-methyloxolane
CID 90184729
ethyl 2-methyloxane-4-carboxylate
CID 131105017
(2S)-N-ethoxyoxolane-2-carboxamide
CID 103872070
2-methyloxolane;trimethyl borate
CID 174059312
1,3-dioxan-5-yl ethyl carbonate;ethyl oxolan-2-ylmethyl carbonate
CID 157199464
CID 175796855
CID 175796855

Frequently Asked Questions

What is the IUPAC name of diethyl carbonate;2-methyloxolane?
The IUPAC name of diethyl carbonate;2-methyloxolane (CID 174662331) is diethyl carbonate;2-methyloxolane.
What is the SMILES notation for diethyl carbonate;2-methyloxolane?
The canonical SMILES for diethyl carbonate;2-methyloxolane is CC1CCCO1.CCOC(=O)OCC.
What is the InChIKey of diethyl carbonate;2-methyloxolane?
The InChIKey is ZQSFTFTVJMOXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.C5H10O/c1-3-7-5(6)8-4-2;1-5-3-2-4-6-5/h3-4H2,1-2H3;5H,2-4H2,1H3.
What are the key properties of diethyl carbonate;2-methyloxolane?
diethyl carbonate;2-methyloxolane has a molecular weight of 204.27 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl carbonate;2-methyloxolane is sourced from PubChem (CID 174662331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).