2,2-dimethoxypropane;dimethyl carbonate;ethoxyethane

C12H28O6 — CID 160972602

IUPAC2,2-dimethoxypropane;dimethyl carbonate;ethoxyethane
SMILESCCOCC.COC(=O)OC.COC(C)(C)OC
InChIInChI=1S/C5H12O2.C4H10O.C3H6O3/c1-5(2,6-3)7-4;1-3-5-4-2;1-5-3(4)6-2/h1-4H3;3-4H2,1-2H3;1-2H3
InChIKeySYLLICFEISZVNP-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.46
Rot. Bonds4

About 2,2-dimethoxypropane;dimethyl carbonate;ethoxyethane

2,2-dimethoxypropane;dimethyl carbonate;ethoxyethane (PubChem CID 160972602) has the molecular formula C12H28O6 and a molecular weight of 268.35 g/mol. Its IUPAC name is 2,2-dimethoxypropane;dimethyl carbonate;ethoxyethane.

Molecular Properties

Compound Name2,2-dimethoxypropane;dimethyl carbonate;ethoxyethane
PubChem CID160972602
Molecular FormulaC12H28O6
Molecular Weight268.35 g/mol
Exact Mass268.19
IUPAC Name2,2-dimethoxypropane;dimethyl carbonate;ethoxyethane
SMILESCCOCC.COC(=O)OC.COC(C)(C)OC
InChIInChI=1S/C5H12O2.C4H10O.C3H6O3/c1-5(2,6-3)7-4;1-3-5-4-2;1-5-3(4)6-2/h1-4H3;3-4H2,1-2H3;1-2H3
InChIKeySYLLICFEISZVNP-UHFFFAOYSA-N
XLogP2.46
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethoxyethane;methyl carbamate
CID 18755981
diethyl carbonate;dimethyl carbonate;ethyl methyl carbonate
CID 87546918
dimethyl carbonate;ethane
CID 160632176
2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methyl carbonate
CID 87247613
2,2-dimethoxypropane;ethane-1,2-diol;hydron;propan-2-one
CID 159261197
2-methoxy-2-methylpropane;pentan-3-one
CID 87285903
magnesium;dimethyl carbonate;hydride
CID 173223307
2,2-dimethoxypropane;methane
CID 162063722
dilithium;ethoxyethane;carbonate
CID 173429420
diethyl 2-(2-methoxypropan-2-yloxy)-3-methylbutanedioate
CID 559227
ethoxyethane
CID 18694919
ethoxyethane
CID 19002445

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxypropane;dimethyl carbonate;ethoxyethane?
The IUPAC name of 2,2-dimethoxypropane;dimethyl carbonate;ethoxyethane (CID 160972602) is 2,2-dimethoxypropane;dimethyl carbonate;ethoxyethane.
What is the SMILES notation for 2,2-dimethoxypropane;dimethyl carbonate;ethoxyethane?
The canonical SMILES for 2,2-dimethoxypropane;dimethyl carbonate;ethoxyethane is CCOCC.COC(=O)OC.COC(C)(C)OC.
What is the InChIKey of 2,2-dimethoxypropane;dimethyl carbonate;ethoxyethane?
The InChIKey is SYLLICFEISZVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2.C4H10O.C3H6O3/c1-5(2,6-3)7-4;1-3-5-4-2;1-5-3(4)6-2/h1-4H3;3-4H2,1-2H3;1-2H3.
What are the key properties of 2,2-dimethoxypropane;dimethyl carbonate;ethoxyethane?
2,2-dimethoxypropane;dimethyl carbonate;ethoxyethane has a molecular weight of 268.35 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxypropane;dimethyl carbonate;ethoxyethane is sourced from PubChem (CID 160972602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).