(6-methoxyoxan-2-yl) 2-methylbutanoate

C11H20O4 — CID 18336315

IUPAC(6-methoxyoxan-2-yl) 2-methylbutanoate
SMILESCCC(C)C(=O)OC1CCCC(OC)O1
InChIInChI=1S/C11H20O4/c1-4-8(2)11(12)15-10-7-5-6-9(13-3)14-10/h8-10H,4-7H2,1-3H3
InChIKeyCHISVNRSSNPNNI-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.07
Rot. Bonds4

About (6-methoxyoxan-2-yl) 2-methylbutanoate

(6-methoxyoxan-2-yl) 2-methylbutanoate (PubChem CID 18336315) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is (6-methoxyoxan-2-yl) 2-methylbutanoate.

Molecular Properties

Compound Name(6-methoxyoxan-2-yl) 2-methylbutanoate
PubChem CID18336315
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name(6-methoxyoxan-2-yl) 2-methylbutanoate
SMILESCCC(C)C(=O)OC1CCCC(OC)O1
InChIInChI=1S/C11H20O4/c1-4-8(2)11(12)15-10-7-5-6-9(13-3)14-10/h8-10H,4-7H2,1-3H3
InChIKeyCHISVNRSSNPNNI-UHFFFAOYSA-N
XLogP2.07
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-methoxyoxan-2-yl) 2-methylbutanoate?
The IUPAC name of (6-methoxyoxan-2-yl) 2-methylbutanoate (CID 18336315) is (6-methoxyoxan-2-yl) 2-methylbutanoate.
What is the SMILES notation for (6-methoxyoxan-2-yl) 2-methylbutanoate?
The canonical SMILES for (6-methoxyoxan-2-yl) 2-methylbutanoate is CCC(C)C(=O)OC1CCCC(OC)O1.
What is the InChIKey of (6-methoxyoxan-2-yl) 2-methylbutanoate?
The InChIKey is CHISVNRSSNPNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-4-8(2)11(12)15-10-7-5-6-9(13-3)14-10/h8-10H,4-7H2,1-3H3.
What are the key properties of (6-methoxyoxan-2-yl) 2-methylbutanoate?
(6-methoxyoxan-2-yl) 2-methylbutanoate has a molecular weight of 216.28 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxyoxan-2-yl) 2-methylbutanoate is sourced from PubChem (CID 18336315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).