ethyl 2-ethoxy-2,3-dimethylpentanoate

C11H22O3 — CID 140976070

IUPACethyl 2-ethoxy-2,3-dimethylpentanoate
SMILESCCOC(=O)C(C)(OCC)C(C)CC
InChIInChI=1S/C11H22O3/c1-6-9(4)11(5,14-8-3)10(12)13-7-2/h9H,6-8H2,1-5H3
InChIKeyVQMOTHOFUHVCKO-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.39
Rot. Bonds6

About ethyl 2-ethoxy-2,3-dimethylpentanoate

ethyl 2-ethoxy-2,3-dimethylpentanoate (PubChem CID 140976070) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is ethyl 2-ethoxy-2,3-dimethylpentanoate.

Molecular Properties

Compound Nameethyl 2-ethoxy-2,3-dimethylpentanoate
PubChem CID140976070
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Nameethyl 2-ethoxy-2,3-dimethylpentanoate
SMILESCCOC(=O)C(C)(OCC)C(C)CC
InChIInChI=1S/C11H22O3/c1-6-9(4)11(5,14-8-3)10(12)13-7-2/h9H,6-8H2,1-5H3
InChIKeyVQMOTHOFUHVCKO-UHFFFAOYSA-N
XLogP2.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3S)-2-ethoxy-2,3-dimethylhexanoate
CID 118201125
diethyl 2-[(2R)-butan-2-yl]-2-chloropropanedioate
CID 640280
ethyl 2-ethyl-2-hydroxy-3-methylpentanoate
CID 79298792
diethyl 2,2,3-trimethylpentanedioate
CID 13244610
ethyl (2S,3R)-3-iodo-2-methoxy-2-methylpentanoate
CID 11779530
ethyl 2-ethoxy-2-methylbutanoate
CID 21285842
diethyl 2-fluoro-2-propan-2-ylpropanedioate
CID 88536481
ethyl 2,2,4-trimethyl-3-oxohexanoate
CID 63717246
diethyl 2,3-diethoxy-2,3-diethylbutanedioate
CID 139989312
ethyl (2R,3R)-2-amino-3-hydroxy-2-methylbutanoate
CID 131230217
ethyl 2-[(2R)-butan-2-yl]sulfanyl-2-methylpropanoate
CID 59267905
ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethoxy-2,3-dimethylpentanoate?
The IUPAC name of ethyl 2-ethoxy-2,3-dimethylpentanoate (CID 140976070) is ethyl 2-ethoxy-2,3-dimethylpentanoate.
What is the SMILES notation for ethyl 2-ethoxy-2,3-dimethylpentanoate?
The canonical SMILES for ethyl 2-ethoxy-2,3-dimethylpentanoate is CCOC(=O)C(C)(OCC)C(C)CC.
What is the InChIKey of ethyl 2-ethoxy-2,3-dimethylpentanoate?
The InChIKey is VQMOTHOFUHVCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-6-9(4)11(5,14-8-3)10(12)13-7-2/h9H,6-8H2,1-5H3.
What are the key properties of ethyl 2-ethoxy-2,3-dimethylpentanoate?
ethyl 2-ethoxy-2,3-dimethylpentanoate has a molecular weight of 202.29 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethoxy-2,3-dimethylpentanoate is sourced from PubChem (CID 140976070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).