ethyl 3-methoxy-2-methylpropanoate;toluene

C14H22O3 — CID 175465833

IUPACethyl 3-methoxy-2-methylpropanoate;toluene
SMILESCCOC(=O)C(C)COC.Cc1ccccc1
InChIInChI=1S/C7H14O3.C7H8/c1-4-10-7(8)6(2)5-9-3;1-7-5-3-2-4-6-7/h6H,4-5H2,1-3H3;2-6H,1H3
InChIKeyDKOGOQGGQKRRHH-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.83
Rot. Bonds4

About ethyl 3-methoxy-2-methylpropanoate;toluene

ethyl 3-methoxy-2-methylpropanoate;toluene (PubChem CID 175465833) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is ethyl 3-methoxy-2-methylpropanoate;toluene.

Molecular Properties

Compound Nameethyl 3-methoxy-2-methylpropanoate;toluene
PubChem CID175465833
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Nameethyl 3-methoxy-2-methylpropanoate;toluene
SMILESCCOC(=O)C(C)COC.Cc1ccccc1
InChIInChI=1S/C7H14O3.C7H8/c1-4-10-7(8)6(2)5-9-3;1-7-5-3-2-4-6-7/h6H,4-5H2,1-3H3;2-6H,1H3
InChIKeyDKOGOQGGQKRRHH-UHFFFAOYSA-N
XLogP2.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl 2-bromopropanedioate;toluene
CID 174851876
ethyl 4-amino-2-methylbutanoate;1-methyl-4-phenylbenzene
CID 145264208
ethyl 3-(2-methoxyethoxy)-2-methylpropanoate
CID 114997793
ethyl acetate;toluene
CID 66707740
ethyl acetate;toluene
CID 70093554
1,2-dimethoxyethane;toluene;hydrate
CID 131731093
ethyl (2S)-2-methyl-3-(2-methylphenyl)propanoate
CID 125424870
2-propoxypropyl propanoate;toluene
CID 145115506
2-methylpropyl acetate;toluene
CID 19602176
ethyl 2-chloro-3-oxopropanoate;toluene
CID 88523995
2,2-dimethylpentyl 2-methylbutanoate;ethane;toluene
CID 155718140
ethyl (2S)-2-phenylpropanoate
CID 7204861

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methoxy-2-methylpropanoate;toluene?
The IUPAC name of ethyl 3-methoxy-2-methylpropanoate;toluene (CID 175465833) is ethyl 3-methoxy-2-methylpropanoate;toluene.
What is the SMILES notation for ethyl 3-methoxy-2-methylpropanoate;toluene?
The canonical SMILES for ethyl 3-methoxy-2-methylpropanoate;toluene is CCOC(=O)C(C)COC.Cc1ccccc1.
What is the InChIKey of ethyl 3-methoxy-2-methylpropanoate;toluene?
The InChIKey is DKOGOQGGQKRRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3.C7H8/c1-4-10-7(8)6(2)5-9-3;1-7-5-3-2-4-6-7/h6H,4-5H2,1-3H3;2-6H,1H3.
What are the key properties of ethyl 3-methoxy-2-methylpropanoate;toluene?
ethyl 3-methoxy-2-methylpropanoate;toluene has a molecular weight of 238.33 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methoxy-2-methylpropanoate;toluene is sourced from PubChem (CID 175465833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).