methane;2-methyl-1,3-dioxane

C6H14O2 — CID 144526875

IUPACmethane;2-methyl-1,3-dioxane
SMILESC.CC1OCCCO1
InChIInChI=1S/C5H10O2.CH4/c1-5-6-3-2-4-7-5;/h5H,2-4H2,1H3;1H4
InChIKeyDATXVZSDTPHGAN-UHFFFAOYSA-N
MW118.18 g/mol
LogP1.41
Rot. Bonds

About methane;2-methyl-1,3-dioxane

methane;2-methyl-1,3-dioxane (PubChem CID 144526875) has the molecular formula C6H14O2 and a molecular weight of 118.18 g/mol. Its IUPAC name is methane;2-methyl-1,3-dioxane.

Molecular Properties

Compound Namemethane;2-methyl-1,3-dioxane
PubChem CID144526875
Molecular FormulaC6H14O2
Molecular Weight118.18 g/mol
Exact Mass118.10
IUPAC Namemethane;2-methyl-1,3-dioxane
SMILESC.CC1OCCCO1
InChIInChI=1S/C5H10O2.CH4/c1-5-6-3-2-4-7-5;/h5H,2-4H2,1H3;1H4
InChIKeyDATXVZSDTPHGAN-UHFFFAOYSA-N
XLogP1.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dioxane;2-methyl-1,3-dioxane
CID 160690927
2,6-dimethyl-1,3-dioxocane
CID 67957151
8-methyl-1,5,7,9,12-pentaoxaspiro[5.6]dodecane
CID 142006895
(3R)-2,3,4-trimethyloxepane
CID 144648748
2,6-dioxabicyclo[5.1.0]octane
CID 118210494
(2S,3R)-2,3-dimethyloxane
CID 121479351
2-methyloxane;hydrochloride
CID 141105834
(2R,3S)-N,2-dimethyloxan-3-amine
CID 129044536
2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosane
CID 23848053
1-(1,3-dioxan-2-yl)ethanethiol
CID 144550706
(3R)-2,3-dimethyl-1,4-dioxane
CID 134576356
methane;2-methylpropane;oxetane
CID 160642963

Frequently Asked Questions

What is the IUPAC name of methane;2-methyl-1,3-dioxane?
The IUPAC name of methane;2-methyl-1,3-dioxane (CID 144526875) is methane;2-methyl-1,3-dioxane.
What is the SMILES notation for methane;2-methyl-1,3-dioxane?
The canonical SMILES for methane;2-methyl-1,3-dioxane is C.CC1OCCCO1.
What is the InChIKey of methane;2-methyl-1,3-dioxane?
The InChIKey is DATXVZSDTPHGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.CH4/c1-5-6-3-2-4-7-5;/h5H,2-4H2,1H3;1H4.
What are the key properties of methane;2-methyl-1,3-dioxane?
methane;2-methyl-1,3-dioxane has a molecular weight of 118.18 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methyl-1,3-dioxane is sourced from PubChem (CID 144526875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).