2-(2,6-dimethyloxan-4-yl)ethyl acetate

C11H20O3 — CID 134539061

IUPAC2-(2,6-dimethyloxan-4-yl)ethyl acetate
SMILESCC(=O)OCCC1CC(C)OC(C)C1
InChIInChI=1S/C11H20O3/c1-8-6-11(7-9(2)14-8)4-5-13-10(3)12/h8-9,11H,4-7H2,1-3H3
InChIKeyPBZQZOZXRLTMAR-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.14
Rot. Bonds3

About 2-(2,6-dimethyloxan-4-yl)ethyl acetate

2-(2,6-dimethyloxan-4-yl)ethyl acetate (PubChem CID 134539061) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(2,6-dimethyloxan-4-yl)ethyl acetate.

Molecular Properties

Compound Name2-(2,6-dimethyloxan-4-yl)ethyl acetate
PubChem CID134539061
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-(2,6-dimethyloxan-4-yl)ethyl acetate
SMILESCC(=O)OCCC1CC(C)OC(C)C1
InChIInChI=1S/C11H20O3/c1-8-6-11(7-9(2)14-8)4-5-13-10(3)12/h8-9,11H,4-7H2,1-3H3
InChIKeyPBZQZOZXRLTMAR-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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Related Compounds

2-(3-oxocyclobutyl)ethyl acetate
CID 72736668
ethyl 2-[(2R,6R)-2,6-dimethyloxan-4-yl]acetate
CID 58938909
2-[(2R)-2,6-dimethyloxan-4-yl]acetic acid
CID 154927365
2-[(2R,5S)-5-ethyl-3,4-dimethyloxolan-2-yl]ethyl acetate
CID 70905687
2-(2-oxooxolan-3-yl)ethyl acetate
CID 11008384
[(2R)-2,6-dimethyloxan-4-yl]methanol
CID 69262648
2-(4-methyloxetan-2-yl)ethyl prop-2-enoate
CID 121410457
2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl acetate
CID 69125498
[(2R,3S,4R,6S)-3,4-diacetyloxy-6-methyloxan-2-yl]methyl acetate
CID 134202816
2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(2-acetyloxyethyl)oxan-2-yl]acetic acid
CID 134482395
2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)ethyl acetate
CID 59735622
(2R,6R)-4-chloro-2,6-dimethyloxane
CID 124564332

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyloxan-4-yl)ethyl acetate?
The IUPAC name of 2-(2,6-dimethyloxan-4-yl)ethyl acetate (CID 134539061) is 2-(2,6-dimethyloxan-4-yl)ethyl acetate.
What is the SMILES notation for 2-(2,6-dimethyloxan-4-yl)ethyl acetate?
The canonical SMILES for 2-(2,6-dimethyloxan-4-yl)ethyl acetate is CC(=O)OCCC1CC(C)OC(C)C1.
What is the InChIKey of 2-(2,6-dimethyloxan-4-yl)ethyl acetate?
The InChIKey is PBZQZOZXRLTMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-8-6-11(7-9(2)14-8)4-5-13-10(3)12/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 2-(2,6-dimethyloxan-4-yl)ethyl acetate?
2-(2,6-dimethyloxan-4-yl)ethyl acetate 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 2-(2,6-dimethyloxan-4-yl)ethyl acetate is sourced from PubChem (CID 134539061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).