2-ethoxypropyl 2,2-dimethylbutanoate

C11H22O3 — CID 177277307

IUPAC2-ethoxypropyl 2,2-dimethylbutanoate
SMILESCCOC(C)COC(=O)C(C)(C)CC
InChIInChI=1S/C11H22O3/c1-6-11(4,5)10(12)14-8-9(3)13-7-2/h9H,6-8H2,1-5H3
InChIKeyALVOMGBKZFDEPH-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.39
Rot. Bonds6

About 2-ethoxypropyl 2,2-dimethylbutanoate

2-ethoxypropyl 2,2-dimethylbutanoate (PubChem CID 177277307) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2-ethoxypropyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name2-ethoxypropyl 2,2-dimethylbutanoate
PubChem CID177277307
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2-ethoxypropyl 2,2-dimethylbutanoate
SMILESCCOC(C)COC(=O)C(C)(C)CC
InChIInChI=1S/C11H22O3/c1-6-11(4,5)10(12)14-8-9(3)13-7-2/h9H,6-8H2,1-5H3
InChIKeyALVOMGBKZFDEPH-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

2-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]propoxy]ethyl 2,2-dimethylbutanoate
CID 170541221
2-prop-2-enoyloxypropyl 2,2-dimethylbutanoate
CID 59264341
2-methylpropoxymethyl 2,2-dimethylbutanoate
CID 59445769
2-[1-[1-[1-[1-[1-(1-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]propyl 2,2-dimethylbutanoate
CID 122450995
(3-hydroxy-2-methoxypropyl) 2,2-dimethylbutanoate
CID 134215746
2-ethoxypropyl 2-sulfanylpropanoate
CID 91229316
2-[2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-oxopropan-2-yl]oxypropyl 2,2-dimethylbutanoate
CID 88875867
(1-ethoxy-2-methylpropyl) 2,2-dimethylbutanoate
CID 20767513
1-[1-[1-[1-[1-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl 2,2-dimethylbutanoate
CID 118699213
[4-(dimethylamino)-2-methylbutyl] 2,2-dimethylbutanoate
CID 58545326
(2-hydroxy-3-propanoyloxypropyl) 2,2-dimethylbutanoate
CID 140925910
iodomethyl 2,2-dimethylbutanoate
CID 14459667

Frequently Asked Questions

What is the IUPAC name of 2-ethoxypropyl 2,2-dimethylbutanoate?
The IUPAC name of 2-ethoxypropyl 2,2-dimethylbutanoate (CID 177277307) is 2-ethoxypropyl 2,2-dimethylbutanoate.
What is the SMILES notation for 2-ethoxypropyl 2,2-dimethylbutanoate?
The canonical SMILES for 2-ethoxypropyl 2,2-dimethylbutanoate is CCOC(C)COC(=O)C(C)(C)CC.
What is the InChIKey of 2-ethoxypropyl 2,2-dimethylbutanoate?
The InChIKey is ALVOMGBKZFDEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-6-11(4,5)10(12)14-8-9(3)13-7-2/h9H,6-8H2,1-5H3.
What are the key properties of 2-ethoxypropyl 2,2-dimethylbutanoate?
2-ethoxypropyl 2,2-dimethylbutanoate 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 2-ethoxypropyl 2,2-dimethylbutanoate is sourced from PubChem (CID 177277307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).