[6-acetyloxy-3-methyl-2-(phenylmethoxymethyl)oxan-4-yl] acetate

C18H24O6 — CID 58326011

IUPAC[6-acetyloxy-3-methyl-2-(phenylmethoxymethyl)oxan-4-yl] acetate
SMILESCC(=O)OC1CC(OC(C)=O)C(C)C(COCc2ccccc2)O1
InChIInChI=1S/C18H24O6/c1-12-16(22-13(2)19)9-18(23-14(3)20)24-17(12)11-21-10-15-7-5-4-6-8-15/h4-8,12,16-18H,9-11H2,1-3H3
InChIKeyQUKISQZQWLVQQL-UHFFFAOYSA-N
MW336.38 g/mol
LogP2.45
Rot. Bonds6

About [6-acetyloxy-3-methyl-2-(phenylmethoxymethyl)oxan-4-yl] acetate

[6-acetyloxy-3-methyl-2-(phenylmethoxymethyl)oxan-4-yl] acetate (PubChem CID 58326011) has the molecular formula C18H24O6 and a molecular weight of 336.38 g/mol. Its IUPAC name is [6-acetyloxy-3-methyl-2-(phenylmethoxymethyl)oxan-4-yl] acetate.

Molecular Properties

Compound Name[6-acetyloxy-3-methyl-2-(phenylmethoxymethyl)oxan-4-yl] acetate
PubChem CID58326011
Molecular FormulaC18H24O6
Molecular Weight336.38 g/mol
Exact Mass336.16
IUPAC Name[6-acetyloxy-3-methyl-2-(phenylmethoxymethyl)oxan-4-yl] acetate
SMILESCC(=O)OC1CC(OC(C)=O)C(C)C(COCc2ccccc2)O1
InChIInChI=1S/C18H24O6/c1-12-16(22-13(2)19)9-18(23-14(3)20)24-17(12)11-21-10-15-7-5-4-6-8-15/h4-8,12,16-18H,9-11H2,1-3H3
InChIKeyQUKISQZQWLVQQL-UHFFFAOYSA-N
XLogP2.45
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4,6-diacetyloxy-3-methyloxan-2-yl)methyl acetate
CID 58326005
[2-ethanimidoyloxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl] acetate
CID 58435431
[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-bromo-2-(phenylmethoxymethyl)oxan-3-yl] acetate
CID 10983380
[(2R,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl] acetate
CID 91180261
[(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl] acetate
CID 11081066
2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 71099139
2-[(2R,3R,4R,5R,6R)-4-acetyloxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetic acid
CID 11226405
[(2R,3S)-5-acetyloxy-2-(trityloxymethyl)oxolan-3-yl] acetate
CID 102461653
(4R,5R)-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-ol
CID 159970118
[(1R,2S)-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl] acetate
CID 134852857
[(1R,2S,3R)-2-(hydroxymethyl)-3-(phenylmethoxymethyl)cyclobutyl] acetate
CID 102074208
(2,6-dimethyl-3-phenylmethoxyoxan-4-yl) acetate
CID 59913097

Frequently Asked Questions

What is the IUPAC name of [6-acetyloxy-3-methyl-2-(phenylmethoxymethyl)oxan-4-yl] acetate?
The IUPAC name of [6-acetyloxy-3-methyl-2-(phenylmethoxymethyl)oxan-4-yl] acetate (CID 58326011) is [6-acetyloxy-3-methyl-2-(phenylmethoxymethyl)oxan-4-yl] acetate.
What is the SMILES notation for [6-acetyloxy-3-methyl-2-(phenylmethoxymethyl)oxan-4-yl] acetate?
The canonical SMILES for [6-acetyloxy-3-methyl-2-(phenylmethoxymethyl)oxan-4-yl] acetate is CC(=O)OC1CC(OC(C)=O)C(C)C(COCc2ccccc2)O1.
What is the InChIKey of [6-acetyloxy-3-methyl-2-(phenylmethoxymethyl)oxan-4-yl] acetate?
The InChIKey is QUKISQZQWLVQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O6/c1-12-16(22-13(2)19)9-18(23-14(3)20)24-17(12)11-21-10-15-7-5-4-6-8-15/h4-8,12,16-18H,9-11H2,1-3H3.
What are the key properties of [6-acetyloxy-3-methyl-2-(phenylmethoxymethyl)oxan-4-yl] acetate?
[6-acetyloxy-3-methyl-2-(phenylmethoxymethyl)oxan-4-yl] acetate has a molecular weight of 336.38 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-acetyloxy-3-methyl-2-(phenylmethoxymethyl)oxan-4-yl] acetate is sourced from PubChem (CID 58326011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).