(2,6-dimethyl-3-phenylmethoxyoxan-4-yl) acetate

C16H22O4 — CID 59913097

IUPAC(2,6-dimethyl-3-phenylmethoxyoxan-4-yl) acetate
SMILESCC(=O)OC1CC(C)OC(C)C1OCc1ccccc1
InChIInChI=1S/C16H22O4/c1-11-9-15(20-13(3)17)16(12(2)19-11)18-10-14-7-5-4-6-8-14/h4-8,11-12,15-16H,9-10H2,1-3H3
InChIKeyGXBBNQOIIWSXKT-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.70
Rot. Bonds4

About (2,6-dimethyl-3-phenylmethoxyoxan-4-yl) acetate

(2,6-dimethyl-3-phenylmethoxyoxan-4-yl) acetate (PubChem CID 59913097) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2,6-dimethyl-3-phenylmethoxyoxan-4-yl) acetate.

Molecular Properties

Compound Name(2,6-dimethyl-3-phenylmethoxyoxan-4-yl) acetate
PubChem CID59913097
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Name(2,6-dimethyl-3-phenylmethoxyoxan-4-yl) acetate
SMILESCC(=O)OC1CC(C)OC(C)C1OCc1ccccc1
InChIInChI=1S/C16H22O4/c1-11-9-15(20-13(3)17)16(12(2)19-11)18-10-14-7-5-4-6-8-14/h4-8,11-12,15-16H,9-10H2,1-3H3
InChIKeyGXBBNQOIIWSXKT-UHFFFAOYSA-N
XLogP2.70
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,6-dimethyl-3-phenylmethoxyoxan-4-yl) acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,6-dimethyl-3-phenylmethoxyoxan-4-yl) acetate;methane
CID 158693531
[(2S,3R,4S,6R)-2-methoxy-6-methyl-4-phenylmethoxyoxan-3-yl] acetate
CID 101175724
[(3S,4R,5R,6S)-2-hydroxy-6-methyl-3,5-bis(phenylmethoxy)oxan-4-yl] acetate
CID 14505002
[(2R,4S,5S)-2-hydroxy-6-methyl-4,5-bis(phenylmethoxy)oxan-3-yl] acetate
CID 70841959
[(2S,3S,4R,5R,6S)-6-chloro-2-methyl-4,5-bis(phenylmethoxy)oxan-3-yl] acetate
CID 15663134
[(3R,5R,6R)-6-methyl-3,5-bis(phenylmethoxy)oxan-2-yl] acetate
CID 11132398
[(2R,6R)-6-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate
CID 174272359
2-[(2S,3S,5S)-5-methyl-3-phenylmethoxyoxolan-2-yl]acetic acid
CID 23726629
[(2S,3S,4R,5R,6R)-4,5-diacetyloxy-2-methyl-6-phenylmethoxyoxan-3-yl] acetate
CID 2747755
[(2S,3R,4R,5S,6S)-6-methyl-2-methylsulfanyl-4,5-bis(phenylmethoxy)oxan-3-yl] acetate
CID 14131744
[(2S,5R)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate
CID 163477744
(5S)-6-methyl-4,5-bis(phenylmethoxy)oxan-2-ol
CID 126612131

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-3-phenylmethoxyoxan-4-yl) acetate?
The IUPAC name of (2,6-dimethyl-3-phenylmethoxyoxan-4-yl) acetate (CID 59913097) is (2,6-dimethyl-3-phenylmethoxyoxan-4-yl) acetate.
What is the SMILES notation for (2,6-dimethyl-3-phenylmethoxyoxan-4-yl) acetate?
The canonical SMILES for (2,6-dimethyl-3-phenylmethoxyoxan-4-yl) acetate is CC(=O)OC1CC(C)OC(C)C1OCc1ccccc1.
What is the InChIKey of (2,6-dimethyl-3-phenylmethoxyoxan-4-yl) acetate?
The InChIKey is GXBBNQOIIWSXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4/c1-11-9-15(20-13(3)17)16(12(2)19-11)18-10-14-7-5-4-6-8-14/h4-8,11-12,15-16H,9-10H2,1-3H3.
What are the key properties of (2,6-dimethyl-3-phenylmethoxyoxan-4-yl) acetate?
(2,6-dimethyl-3-phenylmethoxyoxan-4-yl) acetate has a molecular weight of 278.35 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-3-phenylmethoxyoxan-4-yl) acetate is sourced from PubChem (CID 59913097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).