(5,6-dimethyloxan-2-yl)methyl acetate

C10H18O3 — CID 164565040

IUPAC(5,6-dimethyloxan-2-yl)methyl acetate
SMILESCC(=O)OCC1CCC(C)C(C)O1
InChIInChI=1S/C10H18O3/c1-7-4-5-10(13-8(7)2)6-12-9(3)11/h7-8,10H,4-6H2,1-3H3
InChIKeyJTKOIBJNNWOERI-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.75
Rot. Bonds2

About (5,6-dimethyloxan-2-yl)methyl acetate

(5,6-dimethyloxan-2-yl)methyl acetate (PubChem CID 164565040) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (5,6-dimethyloxan-2-yl)methyl acetate.

Molecular Properties

Compound Name(5,6-dimethyloxan-2-yl)methyl acetate
PubChem CID164565040
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(5,6-dimethyloxan-2-yl)methyl acetate
SMILESCC(=O)OCC1CCC(C)C(C)O1
InChIInChI=1S/C10H18O3/c1-7-4-5-10(13-8(7)2)6-12-9(3)11/h7-8,10H,4-6H2,1-3H3
InChIKeyJTKOIBJNNWOERI-UHFFFAOYSA-N
XLogP1.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;(5-propan-2-yloxolan-2-yl)methyl acetate
CID 142391715
1-[5-(acetyloxymethyl)oxolan-2-yl]ethenyl 2-methylprop-2-enoate
CID 67891878
(5-acetyloxy-6-hydroxyoxan-2-yl)methyl acetate
CID 142113480
[(2S)-4-hydroxyoxetan-2-yl]methyl acetate
CID 67977655
(4-hydroxyoxetan-2-yl)methyl acetate
CID 67977653
3-[5-(acetyloxymethyl)oxolan-2-yl]prop-2-enoic acid
CID 175935617
(5-hydroxy-4-methoxy-6-methyloxan-2-yl)methyl acetate
CID 145462771
2-(5,6-dimethyloxan-2-yl)ethanol
CID 59772049
[(2R,3R,4R,5R)-5-(acetyloxymethyl)-3,4-dimethoxyoxolan-2-yl]methyl acetate
CID 67276829
(5-formyloxan-2-yl)methyl acetate
CID 123948440
[(2S,5S)-4,5-diacetyloxyoxolan-2-yl]methyl acetate
CID 144683652
[(2R,3S,4S,5S)-3-acetyloxy-4,5-dimethyloxolan-2-yl]methyl acetate
CID 58159411

Frequently Asked Questions

What is the IUPAC name of (5,6-dimethyloxan-2-yl)methyl acetate?
The IUPAC name of (5,6-dimethyloxan-2-yl)methyl acetate (CID 164565040) is (5,6-dimethyloxan-2-yl)methyl acetate.
What is the SMILES notation for (5,6-dimethyloxan-2-yl)methyl acetate?
The canonical SMILES for (5,6-dimethyloxan-2-yl)methyl acetate is CC(=O)OCC1CCC(C)C(C)O1.
What is the InChIKey of (5,6-dimethyloxan-2-yl)methyl acetate?
The InChIKey is JTKOIBJNNWOERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-7-4-5-10(13-8(7)2)6-12-9(3)11/h7-8,10H,4-6H2,1-3H3.
What are the key properties of (5,6-dimethyloxan-2-yl)methyl acetate?
(5,6-dimethyloxan-2-yl)methyl acetate has a molecular weight of 186.25 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dimethyloxan-2-yl)methyl acetate is sourced from PubChem (CID 164565040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).