(4-methyloxan-4-yl) 3-methylbutanoate

C11H20O3 — CID 68788887

IUPAC(4-methyloxan-4-yl) 3-methylbutanoate
SMILESCC(C)CC(=O)OC1(C)CCOCC1
InChIInChI=1S/C11H20O3/c1-9(2)8-10(12)14-11(3)4-6-13-7-5-11/h9H,4-8H2,1-3H3
InChIKeyYZLCIQYWRZMANK-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.14
Rot. Bonds3

About (4-methyloxan-4-yl) 3-methylbutanoate

(4-methyloxan-4-yl) 3-methylbutanoate (PubChem CID 68788887) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (4-methyloxan-4-yl) 3-methylbutanoate.

Molecular Properties

Compound Name(4-methyloxan-4-yl) 3-methylbutanoate
PubChem CID68788887
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(4-methyloxan-4-yl) 3-methylbutanoate
SMILESCC(C)CC(=O)OC1(C)CCOCC1
InChIInChI=1S/C11H20O3/c1-9(2)8-10(12)14-11(3)4-6-13-7-5-11/h9H,4-8H2,1-3H3
InChIKeyYZLCIQYWRZMANK-UHFFFAOYSA-N
XLogP2.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methyloxan-4-yl) 3-methylbutanoate?
The IUPAC name of (4-methyloxan-4-yl) 3-methylbutanoate (CID 68788887) is (4-methyloxan-4-yl) 3-methylbutanoate.
What is the SMILES notation for (4-methyloxan-4-yl) 3-methylbutanoate?
The canonical SMILES for (4-methyloxan-4-yl) 3-methylbutanoate is CC(C)CC(=O)OC1(C)CCOCC1.
What is the InChIKey of (4-methyloxan-4-yl) 3-methylbutanoate?
The InChIKey is YZLCIQYWRZMANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-9(2)8-10(12)14-11(3)4-6-13-7-5-11/h9H,4-8H2,1-3H3.
What are the key properties of (4-methyloxan-4-yl) 3-methylbutanoate?
(4-methyloxan-4-yl) 3-methylbutanoate has a molecular weight of 200.28 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyloxan-4-yl) 3-methylbutanoate is sourced from PubChem (CID 68788887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).