(4-methyl-2-propyloxan-4-yl) acetate

C11H20O3 — CID 57483300

IUPAC(4-methyl-2-propyloxan-4-yl) acetate
SMILESCCCC1CC(C)(OC(C)=O)CCO1
InChIInChI=1S/C11H20O3/c1-4-5-10-8-11(3,6-7-13-10)14-9(2)12/h10H,4-8H2,1-3H3
InChIKeyGURYYNWDVKXZAT-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.29
Rot. Bonds3

About (4-methyl-2-propyloxan-4-yl) acetate

(4-methyl-2-propyloxan-4-yl) acetate (PubChem CID 57483300) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (4-methyl-2-propyloxan-4-yl) acetate.

Molecular Properties

Compound Name(4-methyl-2-propyloxan-4-yl) acetate
PubChem CID57483300
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(4-methyl-2-propyloxan-4-yl) acetate
SMILESCCCC1CC(C)(OC(C)=O)CCO1
InChIInChI=1S/C11H20O3/c1-4-5-10-8-11(3,6-7-13-10)14-9(2)12/h10H,4-8H2,1-3H3
InChIKeyGURYYNWDVKXZAT-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-propyloxan-4-yl) acetate?
The IUPAC name of (4-methyl-2-propyloxan-4-yl) acetate (CID 57483300) is (4-methyl-2-propyloxan-4-yl) acetate.
What is the SMILES notation for (4-methyl-2-propyloxan-4-yl) acetate?
The canonical SMILES for (4-methyl-2-propyloxan-4-yl) acetate is CCCC1CC(C)(OC(C)=O)CCO1.
What is the InChIKey of (4-methyl-2-propyloxan-4-yl) acetate?
The InChIKey is GURYYNWDVKXZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-4-5-10-8-11(3,6-7-13-10)14-9(2)12/h10H,4-8H2,1-3H3.
What are the key properties of (4-methyl-2-propyloxan-4-yl) acetate?
(4-methyl-2-propyloxan-4-yl) acetate has a molecular weight of 200.28 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-propyloxan-4-yl) acetate is sourced from PubChem (CID 57483300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).