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

C12H24O2 — CID 176760509

IUPAC2-(3,4-dimethylpentan-2-yl)-4-methyl-1,3-dioxane
SMILESCC1CCOC(C(C)C(C)C(C)C)O1
InChIInChI=1S/C12H24O2/c1-8(2)10(4)11(5)12-13-7-6-9(3)14-12/h8-12H,6-7H2,1-5H3
InChIKeyZJZCEXPCYVOBLF-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.07
Rot. Bonds3

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

2-(3,4-dimethylpentan-2-yl)-4-methyl-1,3-dioxane (PubChem CID 176760509) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2-(3,4-dimethylpentan-2-yl)-4-methyl-1,3-dioxane.

Molecular Properties

Compound Name2-(3,4-dimethylpentan-2-yl)-4-methyl-1,3-dioxane
PubChem CID176760509
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2-(3,4-dimethylpentan-2-yl)-4-methyl-1,3-dioxane
SMILESCC1CCOC(C(C)C(C)C(C)C)O1
InChIInChI=1S/C12H24O2/c1-8(2)10(4)11(5)12-13-7-6-9(3)14-12/h8-12H,6-7H2,1-5H3
InChIKeyZJZCEXPCYVOBLF-UHFFFAOYSA-N
XLogP3.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-(3-methylbutan-2-yl)-1,3-dioxane
CID 170368455
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
1-(3,4-dimethylpentan-2-yl)-4-methylcyclohexane
CID 123566081
(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

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpentan-2-yl)-4-methyl-1,3-dioxane?
The IUPAC name of 2-(3,4-dimethylpentan-2-yl)-4-methyl-1,3-dioxane (CID 176760509) is 2-(3,4-dimethylpentan-2-yl)-4-methyl-1,3-dioxane.
What is the SMILES notation for 2-(3,4-dimethylpentan-2-yl)-4-methyl-1,3-dioxane?
The canonical SMILES for 2-(3,4-dimethylpentan-2-yl)-4-methyl-1,3-dioxane is CC1CCOC(C(C)C(C)C(C)C)O1.
What is the InChIKey of 2-(3,4-dimethylpentan-2-yl)-4-methyl-1,3-dioxane?
The InChIKey is ZJZCEXPCYVOBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-8(2)10(4)11(5)12-13-7-6-9(3)14-12/h8-12H,6-7H2,1-5H3.
What are the key properties of 2-(3,4-dimethylpentan-2-yl)-4-methyl-1,3-dioxane?
2-(3,4-dimethylpentan-2-yl)-4-methyl-1,3-dioxane has a molecular weight of 200.32 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpentan-2-yl)-4-methyl-1,3-dioxane is sourced from PubChem (CID 176760509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).