2-[(2R,6R,10R)-6,10,14-trimethylpentadecan-2-yl]oxyoxane

C23H46O2 — CID 14805774

IUPAC2-[(2R,6R,10R)-6,10,14-trimethylpentadecan-2-yl]oxyoxane
SMILESCC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)OC1CCCCO1
InChIInChI=1S/C23H46O2/c1-19(2)11-8-12-20(3)13-9-14-21(4)15-10-16-22(5)25-23-17-6-7-18-24-23/h19-23H,6-18H2,1-5H3/t20-,21-,22-,23?/m1/s1
InChIKeyZKVWMILCZFGOCD-YRNFEDNZSA-N
MW354.62 g/mol
LogP7.36
Rot. Bonds14

About 2-[(2R,6R,10R)-6,10,14-trimethylpentadecan-2-yl]oxyoxane

2-[(2R,6R,10R)-6,10,14-trimethylpentadecan-2-yl]oxyoxane (PubChem CID 14805774) has the molecular formula C23H46O2 and a molecular weight of 354.62 g/mol. Its IUPAC name is 2-[(2R,6R,10R)-6,10,14-trimethylpentadecan-2-yl]oxyoxane.

Molecular Properties

Compound Name2-[(2R,6R,10R)-6,10,14-trimethylpentadecan-2-yl]oxyoxane
PubChem CID14805774
Molecular FormulaC23H46O2
Molecular Weight354.62 g/mol
Exact Mass354.35
IUPAC Name2-[(2R,6R,10R)-6,10,14-trimethylpentadecan-2-yl]oxyoxane
SMILESCC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)OC1CCCCO1
InChIInChI=1S/C23H46O2/c1-19(2)11-8-12-20(3)13-9-14-21(4)15-10-16-22(5)25-23-17-6-7-18-24-23/h19-23H,6-18H2,1-5H3/t20-,21-,22-,23?/m1/s1
InChIKeyZKVWMILCZFGOCD-YRNFEDNZSA-N
XLogP7.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.62
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxane
CID 10879776
(3S,6R)-2-ethyl-6-methoxy-3,4,5-trimethyloxane
CID 60011074
1,1,3-Triethoxy-4-ethyloctane
CID 129659309
1,3,5,7,7-Hexaethoxy-2,4,6-trimethylheptane
CID 129810513
2-(8-Methylhexacosoxy)oxane
CID 135072287
(2R,3R,4R,5R,6S)-2,5-diethyl-3-fluoro-6-methoxy-4-methyloxane
CID 58349951
2-Ethyl-3-fluoro-6-methoxy-4-methyl-5-propyloxane
CID 90702155
(2S)-2-[(5S,7R)-5-ethyl-8-fluoro-5,7-dimethyloctoxy]oxane
CID 149533167
2,4-Dimethyl-6-(oxan-2-yloxy)heptan-1-ol
CID 72775627
2,5,5-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-1,3-dioxane
CID 90238872
2-[(4R)-4,8-dimethylnonyl]-2,5,5-trimethyl-1,3-dioxane
CID 90238888
2,4,6-Tris(2,6-dimethylheptyl)-1,3,5-trioxane
CID 101114941

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6R,10R)-6,10,14-trimethylpentadecan-2-yl]oxyoxane?
The IUPAC name of 2-[(2R,6R,10R)-6,10,14-trimethylpentadecan-2-yl]oxyoxane (CID 14805774) is 2-[(2R,6R,10R)-6,10,14-trimethylpentadecan-2-yl]oxyoxane.
What is the SMILES notation for 2-[(2R,6R,10R)-6,10,14-trimethylpentadecan-2-yl]oxyoxane?
The canonical SMILES for 2-[(2R,6R,10R)-6,10,14-trimethylpentadecan-2-yl]oxyoxane is CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)OC1CCCCO1.
What is the InChIKey of 2-[(2R,6R,10R)-6,10,14-trimethylpentadecan-2-yl]oxyoxane?
The InChIKey is ZKVWMILCZFGOCD-YRNFEDNZSA-N. The full InChI is InChI=1S/C23H46O2/c1-19(2)11-8-12-20(3)13-9-14-21(4)15-10-16-22(5)25-23-17-6-7-18-24-23/h19-23H,6-18H2,1-5H3/t20-,21-,22-,23?/m1/s1.
What are the key properties of 2-[(2R,6R,10R)-6,10,14-trimethylpentadecan-2-yl]oxyoxane?
2-[(2R,6R,10R)-6,10,14-trimethylpentadecan-2-yl]oxyoxane has a molecular weight of 354.62 g/mol, XLogP of 7.36, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6R,10R)-6,10,14-trimethylpentadecan-2-yl]oxyoxane is sourced from PubChem (CID 14805774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).