(3-acetyloxy-2,6-diethyl-5-methyloxan-4-yl) acetate

C14H24O5 — CID 91079247

IUPAC(3-acetyloxy-2,6-diethyl-5-methyloxan-4-yl) acetate
SMILESCCC1OC(CC)C(OC(C)=O)C(OC(C)=O)C1C
InChIInChI=1S/C14H24O5/c1-6-11-8(3)13(17-9(4)15)14(18-10(5)16)12(7-2)19-11/h8,11-14H,6-7H2,1-5H3
InChIKeyMLRTYFJXENJAPY-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.07
Rot. Bonds4

About (3-acetyloxy-2,6-diethyl-5-methyloxan-4-yl) acetate

(3-acetyloxy-2,6-diethyl-5-methyloxan-4-yl) acetate (PubChem CID 91079247) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is (3-acetyloxy-2,6-diethyl-5-methyloxan-4-yl) acetate.

Molecular Properties

Compound Name(3-acetyloxy-2,6-diethyl-5-methyloxan-4-yl) acetate
PubChem CID91079247
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name(3-acetyloxy-2,6-diethyl-5-methyloxan-4-yl) acetate
SMILESCCC1OC(CC)C(OC(C)=O)C(OC(C)=O)C1C
InChIInChI=1S/C14H24O5/c1-6-11-8(3)13(17-9(4)15)14(18-10(5)16)12(7-2)19-11/h8,11-14H,6-7H2,1-5H3
InChIKeyMLRTYFJXENJAPY-UHFFFAOYSA-N
XLogP2.07
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Acetoxy-3-pentyltetrahydropyran
CID 86799
5-Methyl-3-butyltetrahydropyran-4-yl acetate
CID 161960
2H-Pyran-4-ol, tetrahydro-4-methyl-2-propyl-, 4-acetate
CID 57483300
1,3-Octanediol, 2-methyl-, 1,3-diacetate
CID 106737
2-[1-(2-Hexyldodecoxy)propan-2-yloxy]ethyl acetate
CID 86278227
Cyclohexanepropanol, alpha,beta-dimethyl-, 1-acetate
CID 118156
2H-Pyran-4-ol, tetrahydro-4-methyl-2-(2-methylpropyl)-, 4-acetate
CID 14817293
isobutyl 2,3,4-tri-O-acetyl-1-thio-beta-xylopyranoside
CID 5487114
(3-Methyl-6-propyloxan-3-yl) acetate
CID 537807
2,3-di-O-Phytanyl-sn-glycerol acetate
CID 92036146
3,7,11,15-Tetramethylhexadecane-1,2,3-triol triacetate
CID 101588518
2,3-di-O-Sesterterpanyl-sn-glycerol acetate
CID 132993935

Frequently Asked Questions

What is the IUPAC name of (3-acetyloxy-2,6-diethyl-5-methyloxan-4-yl) acetate?
The IUPAC name of (3-acetyloxy-2,6-diethyl-5-methyloxan-4-yl) acetate (CID 91079247) is (3-acetyloxy-2,6-diethyl-5-methyloxan-4-yl) acetate.
What is the SMILES notation for (3-acetyloxy-2,6-diethyl-5-methyloxan-4-yl) acetate?
The canonical SMILES for (3-acetyloxy-2,6-diethyl-5-methyloxan-4-yl) acetate is CCC1OC(CC)C(OC(C)=O)C(OC(C)=O)C1C.
What is the InChIKey of (3-acetyloxy-2,6-diethyl-5-methyloxan-4-yl) acetate?
The InChIKey is MLRTYFJXENJAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O5/c1-6-11-8(3)13(17-9(4)15)14(18-10(5)16)12(7-2)19-11/h8,11-14H,6-7H2,1-5H3.
What are the key properties of (3-acetyloxy-2,6-diethyl-5-methyloxan-4-yl) acetate?
(3-acetyloxy-2,6-diethyl-5-methyloxan-4-yl) acetate has a molecular weight of 272.34 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetyloxy-2,6-diethyl-5-methyloxan-4-yl) acetate is sourced from PubChem (CID 91079247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).