2,6-dimethyloxane;2,4-dimethyloxetane;2,5-dimethyloxolane

C18H36O3 — CID 162224348

IUPAC2,6-dimethyloxane;2,4-dimethyloxetane;2,5-dimethyloxolane
SMILESCC1CC(C)O1.CC1CCC(C)O1.CC1CCCC(C)O1
InChIInChI=1S/C7H14O.C6H12O.C5H10O/c1-6-4-3-5-7(2)8-6;1-5-3-4-6(2)7-5;1-4-3-5(2)6-4/h6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;4-5H,3H2,1-2H3
InChIKeyZUNYJNMZMFGCQQ-UHFFFAOYSA-N
MW300.48 g/mol
LogP4.72
Rot. Bonds

About 2,6-dimethyloxane;2,4-dimethyloxetane;2,5-dimethyloxolane

2,6-dimethyloxane;2,4-dimethyloxetane;2,5-dimethyloxolane (PubChem CID 162224348) has the molecular formula C18H36O3 and a molecular weight of 300.48 g/mol. Its IUPAC name is 2,6-dimethyloxane;2,4-dimethyloxetane;2,5-dimethyloxolane.

Molecular Properties

Compound Name2,6-dimethyloxane;2,4-dimethyloxetane;2,5-dimethyloxolane
PubChem CID162224348
Molecular FormulaC18H36O3
Molecular Weight300.48 g/mol
Exact Mass300.27
IUPAC Name2,6-dimethyloxane;2,4-dimethyloxetane;2,5-dimethyloxolane
SMILESCC1CC(C)O1.CC1CCC(C)O1.CC1CCCC(C)O1
InChIInChI=1S/C7H14O.C6H12O.C5H10O/c1-6-4-3-5-7(2)8-6;1-5-3-4-6(2)7-5;1-4-3-5(2)6-4/h6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;4-5H,3H2,1-2H3
InChIKeyZUNYJNMZMFGCQQ-UHFFFAOYSA-N
XLogP4.72
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.48
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2,5-dimethyloxolane
CID 118613003
(2S)-2-methyl-6-propan-2-yloxane
CID 118613314
(2R,6R)-2-methyl-6-[3-[(2R)-6-methyloxan-2-yl]oxycyclohexyl]oxyoxane
CID 71287954
2,6-dimethyl-4-(3-methylcyclohexyl)morpholine
CID 2846634
(2S,6S)-N-cyclopropyl-2,6-dimethyloxan-4-amine
CID 97358274
3-methyl-2-oxabicyclo[4.1.0]heptane
CID 145003683
(2R,6R)-4-bromo-2,6-dimethyloxane
CID 96839693
(2R,6R)-4-chloro-2,6-dimethyloxane
CID 124564332
(2R,6S)-2,6-dimethyloxane-4-thiol
CID 86706716
2-iodo-4,6-dimethyl-1,3-dioxane
CID 129213139
methanol;2-methoxy-6-methyloxane
CID 143625427
N-(2,7-dimethyloxepan-4-yl)acetamide
CID 175623510

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyloxane;2,4-dimethyloxetane;2,5-dimethyloxolane?
The IUPAC name of 2,6-dimethyloxane;2,4-dimethyloxetane;2,5-dimethyloxolane (CID 162224348) is 2,6-dimethyloxane;2,4-dimethyloxetane;2,5-dimethyloxolane.
What is the SMILES notation for 2,6-dimethyloxane;2,4-dimethyloxetane;2,5-dimethyloxolane?
The canonical SMILES for 2,6-dimethyloxane;2,4-dimethyloxetane;2,5-dimethyloxolane is CC1CC(C)O1.CC1CCC(C)O1.CC1CCCC(C)O1.
What is the InChIKey of 2,6-dimethyloxane;2,4-dimethyloxetane;2,5-dimethyloxolane?
The InChIKey is ZUNYJNMZMFGCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.C6H12O.C5H10O/c1-6-4-3-5-7(2)8-6;1-5-3-4-6(2)7-5;1-4-3-5(2)6-4/h6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;4-5H,3H2,1-2H3.
What are the key properties of 2,6-dimethyloxane;2,4-dimethyloxetane;2,5-dimethyloxolane?
2,6-dimethyloxane;2,4-dimethyloxetane;2,5-dimethyloxolane has a molecular weight of 300.48 g/mol, XLogP of 4.72, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyloxane;2,4-dimethyloxetane;2,5-dimethyloxolane is sourced from PubChem (CID 162224348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).