propan-2-yl 2-(ethoxymethyl)-3-methyl-2-propan-2-ylbutanoate

C14H28O3 — CID 139783243

IUPACpropan-2-yl 2-(ethoxymethyl)-3-methyl-2-propan-2-ylbutanoate
SMILESCCOCC(C(=O)OC(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H28O3/c1-8-16-9-14(10(2)3,11(4)5)13(15)17-12(6)7/h10-12H,8-9H2,1-7H3
InChIKeyHTHNAXGRTZJBNX-UHFFFAOYSA-N
MW244.37 g/mol
LogP3.27
Rot. Bonds7

About propan-2-yl 2-(ethoxymethyl)-3-methyl-2-propan-2-ylbutanoate

propan-2-yl 2-(ethoxymethyl)-3-methyl-2-propan-2-ylbutanoate (PubChem CID 139783243) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is propan-2-yl 2-(ethoxymethyl)-3-methyl-2-propan-2-ylbutanoate.

Molecular Properties

Compound Namepropan-2-yl 2-(ethoxymethyl)-3-methyl-2-propan-2-ylbutanoate
PubChem CID139783243
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Namepropan-2-yl 2-(ethoxymethyl)-3-methyl-2-propan-2-ylbutanoate
SMILESCCOCC(C(=O)OC(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H28O3/c1-8-16-9-14(10(2)3,11(4)5)13(15)17-12(6)7/h10-12H,8-9H2,1-7H3
InChIKeyHTHNAXGRTZJBNX-UHFFFAOYSA-N
XLogP3.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(ethoxymethyl)-3-methyl-2-propan-2-ylbutanoate?
The IUPAC name of propan-2-yl 2-(ethoxymethyl)-3-methyl-2-propan-2-ylbutanoate (CID 139783243) is propan-2-yl 2-(ethoxymethyl)-3-methyl-2-propan-2-ylbutanoate.
What is the SMILES notation for propan-2-yl 2-(ethoxymethyl)-3-methyl-2-propan-2-ylbutanoate?
The canonical SMILES for propan-2-yl 2-(ethoxymethyl)-3-methyl-2-propan-2-ylbutanoate is CCOCC(C(=O)OC(C)C)(C(C)C)C(C)C.
What is the InChIKey of propan-2-yl 2-(ethoxymethyl)-3-methyl-2-propan-2-ylbutanoate?
The InChIKey is HTHNAXGRTZJBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-8-16-9-14(10(2)3,11(4)5)13(15)17-12(6)7/h10-12H,8-9H2,1-7H3.
What are the key properties of propan-2-yl 2-(ethoxymethyl)-3-methyl-2-propan-2-ylbutanoate?
propan-2-yl 2-(ethoxymethyl)-3-methyl-2-propan-2-ylbutanoate has a molecular weight of 244.37 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(ethoxymethyl)-3-methyl-2-propan-2-ylbutanoate is sourced from PubChem (CID 139783243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).