2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane

C23H30O3 — CID 71099139

IUPAC2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane
SMILESCC1OC(COCc2ccccc2)C(C)C(C)C1OCc1ccccc1
InChIInChI=1S/C23H30O3/c1-17-18(2)23(25-15-21-12-8-5-9-13-21)19(3)26-22(17)16-24-14-20-10-6-4-7-11-20/h4-13,17-19,22-23H,14-16H2,1-3H3
InChIKeyCOFPOGVGQKROMF-UHFFFAOYSA-N
MW354.49 g/mol
LogP4.85
Rot. Bonds7

About 2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane

2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane (PubChem CID 71099139) has the molecular formula C23H30O3 and a molecular weight of 354.49 g/mol. Its IUPAC name is 2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane.

Molecular Properties

Compound Name2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane
PubChem CID71099139
Molecular FormulaC23H30O3
Molecular Weight354.49 g/mol
Exact Mass354.22
IUPAC Name2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane
SMILESCC1OC(COCc2ccccc2)C(C)C(C)C1OCc1ccccc1
InChIInChI=1S/C23H30O3/c1-17-18(2)23(25-15-21-12-8-5-9-13-21)19(3)26-22(17)16-24-14-20-10-6-4-7-11-20/h4-13,17-19,22-23H,14-16H2,1-3H3
InChIKeyCOFPOGVGQKROMF-UHFFFAOYSA-N
XLogP4.85
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S,6S)-4,6-dimethyl-5-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 126550257
(2R,4S,6R)-2-methyl-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-amine
CID 118563862
4,5-dimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane-2-carbonitrile
CID 121355445
(2S,4R,5S)-2,3-dimethyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-ol
CID 91212823
(3S,4R,5R)-3-fluoro-2-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 130316791
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2R,3S,5R)-2-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-[(2R,3S,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 158301816
2-[(2R,3S,4R,5S,6R)-3,4-dimethyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]acetamide
CID 158265028
(2S,4S,5S)-2-methyl-3,4,5-tris(phenylmethoxy)-6-[[(2R,4S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxane
CID 146032483
(3S,4R,5R,6R)-2-methyl-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 167040761
(2R,4S,5S)-2-chloro-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 90859316
4-azido-2-methyl-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 3720438

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane?
The IUPAC name of 2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane (CID 71099139) is 2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane.
What is the SMILES notation for 2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane?
The canonical SMILES for 2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane is CC1OC(COCc2ccccc2)C(C)C(C)C1OCc1ccccc1.
What is the InChIKey of 2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane?
The InChIKey is COFPOGVGQKROMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O3/c1-17-18(2)23(25-15-21-12-8-5-9-13-21)19(3)26-22(17)16-24-14-20-10-6-4-7-11-20/h4-13,17-19,22-23H,14-16H2,1-3H3.
What are the key properties of 2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane?
2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane has a molecular weight of 354.49 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane is sourced from PubChem (CID 71099139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).