4-methyl-2-(3-methylbutan-2-yl)-1,3-dioxane

C10H20O2 — CID 170368455

IUPAC4-methyl-2-(3-methylbutan-2-yl)-1,3-dioxane
SMILESCC1CCOC(C(C)C(C)C)O1
InChIInChI=1S/C10H20O2/c1-7(2)9(4)10-11-6-5-8(3)12-10/h7-10H,5-6H2,1-4H3
InChIKeyRMMVGUGQDINDSR-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.43
Rot. Bonds2

About 4-methyl-2-(3-methylbutan-2-yl)-1,3-dioxane

4-methyl-2-(3-methylbutan-2-yl)-1,3-dioxane (PubChem CID 170368455) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-methyl-2-(3-methylbutan-2-yl)-1,3-dioxane.

Molecular Properties

Compound Name4-methyl-2-(3-methylbutan-2-yl)-1,3-dioxane
PubChem CID170368455
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name4-methyl-2-(3-methylbutan-2-yl)-1,3-dioxane
SMILESCC1CCOC(C(C)C(C)C)O1
InChIInChI=1S/C10H20O2/c1-7(2)9(4)10-11-6-5-8(3)12-10/h7-10H,5-6H2,1-4H3
InChIKeyRMMVGUGQDINDSR-UHFFFAOYSA-N
XLogP2.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylpentan-2-yl)-4-methyl-1,3-dioxane
CID 176760509
4-methyl-2-(3-methylpentan-2-yl)-1,3-dioxane
CID 170568146
2-methyloxetane;propan-2-amine
CID 18626824
(2R,4R)-2-methoxy-4-methyl-1,3-dioxane
CID 13356634
(2S)-2,5-dimethyloxolane
CID 118613003
(2S,4R)-2-methyl-4-propan-2-yloxane
CID 177186832
3-[2-(4-methyl-1,3-dioxan-2-yl)ethoxy]butan-1-ol
CID 13464120
4-[2-(4-methyl-1,3-dioxan-2-yl)ethoxy]butan-2-ol
CID 13464119
2-(2,4-dimethylpentan-3-yl)-4-methyloxane
CID 176760513
2,3-dimethyl-1-(2-methyloxolan-3-yl)butan-1-one
CID 130647263
(1R)-1-[(2S,4R)-2-methyloxan-4-yl]ethanol
CID 97044423
(2S,3R)-2-methyl-N-[(2S)-3-methylbutan-2-yl]oxolan-3-amine
CID 97358167

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methylbutan-2-yl)-1,3-dioxane?
The IUPAC name of 4-methyl-2-(3-methylbutan-2-yl)-1,3-dioxane (CID 170368455) is 4-methyl-2-(3-methylbutan-2-yl)-1,3-dioxane.
What is the SMILES notation for 4-methyl-2-(3-methylbutan-2-yl)-1,3-dioxane?
The canonical SMILES for 4-methyl-2-(3-methylbutan-2-yl)-1,3-dioxane is CC1CCOC(C(C)C(C)C)O1.
What is the InChIKey of 4-methyl-2-(3-methylbutan-2-yl)-1,3-dioxane?
The InChIKey is RMMVGUGQDINDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-7(2)9(4)10-11-6-5-8(3)12-10/h7-10H,5-6H2,1-4H3.
What are the key properties of 4-methyl-2-(3-methylbutan-2-yl)-1,3-dioxane?
4-methyl-2-(3-methylbutan-2-yl)-1,3-dioxane has a molecular weight of 172.27 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methylbutan-2-yl)-1,3-dioxane is sourced from PubChem (CID 170368455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).