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

C17H26O4 — CID 158693531

IUPAC(2,6-dimethyl-3-phenylmethoxyoxan-4-yl) acetate;methane
SMILESC.CC(=O)OC1CC(C)OC(C)C1OCc1ccccc1
InChIInChI=1S/C16H22O4.CH4/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;1H4
InChIKeyIGQNHXXNVSPLDK-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.34
Rot. Bonds4

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

(2,6-dimethyl-3-phenylmethoxyoxan-4-yl) acetate;methane (PubChem CID 158693531) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is (2,6-dimethyl-3-phenylmethoxyoxan-4-yl) acetate;methane.

Molecular Properties

Compound Name(2,6-dimethyl-3-phenylmethoxyoxan-4-yl) acetate;methane
PubChem CID158693531
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name(2,6-dimethyl-3-phenylmethoxyoxan-4-yl) acetate;methane
SMILESC.CC(=O)OC1CC(C)OC(C)C1OCc1ccccc1
InChIInChI=1S/C16H22O4.CH4/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;1H4
InChIKeyIGQNHXXNVSPLDK-UHFFFAOYSA-N
XLogP3.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dimethyl-3-phenylmethoxyoxan-4-yl) acetate
CID 59913097
[(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;methane?
The IUPAC name of (2,6-dimethyl-3-phenylmethoxyoxan-4-yl) acetate;methane (CID 158693531) is (2,6-dimethyl-3-phenylmethoxyoxan-4-yl) acetate;methane.
What is the SMILES notation for (2,6-dimethyl-3-phenylmethoxyoxan-4-yl) acetate;methane?
The canonical SMILES for (2,6-dimethyl-3-phenylmethoxyoxan-4-yl) acetate;methane is C.CC(=O)OC1CC(C)OC(C)C1OCc1ccccc1.
What is the InChIKey of (2,6-dimethyl-3-phenylmethoxyoxan-4-yl) acetate;methane?
The InChIKey is IGQNHXXNVSPLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4.CH4/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;1H4.
What are the key properties of (2,6-dimethyl-3-phenylmethoxyoxan-4-yl) acetate;methane?
(2,6-dimethyl-3-phenylmethoxyoxan-4-yl) acetate;methane has a molecular weight of 294.39 g/mol, XLogP of 3.34, 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;methane is sourced from PubChem (CID 158693531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).