5-butan-2-yl-5-methyl-2-pentan-2-yl-1,3-dioxane

C14H28O2 — CID 20509704

IUPAC5-butan-2-yl-5-methyl-2-pentan-2-yl-1,3-dioxane
SMILESCCCC(C)C1OCC(C)(C(C)CC)CO1
InChIInChI=1S/C14H28O2/c1-6-8-11(3)13-15-9-14(5,10-16-13)12(4)7-2/h11-13H,6-10H2,1-5H3
InChIKeyLVMQHDGOMOLMOZ-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.85
Rot. Bonds5

About 5-butan-2-yl-5-methyl-2-pentan-2-yl-1,3-dioxane

5-butan-2-yl-5-methyl-2-pentan-2-yl-1,3-dioxane (PubChem CID 20509704) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 5-butan-2-yl-5-methyl-2-pentan-2-yl-1,3-dioxane.

Molecular Properties

Compound Name5-butan-2-yl-5-methyl-2-pentan-2-yl-1,3-dioxane
PubChem CID20509704
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name5-butan-2-yl-5-methyl-2-pentan-2-yl-1,3-dioxane
SMILESCCCC(C)C1OCC(C)(C(C)CC)CO1
InChIInChI=1S/C14H28O2/c1-6-8-11(3)13-15-9-14(5,10-16-13)12(4)7-2/h11-13H,6-10H2,1-5H3
InChIKeyLVMQHDGOMOLMOZ-UHFFFAOYSA-N
XLogP3.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-butan-2-yl-5-methyl-2-pentan-2-yl-1,3-dioxane with MolForge

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Related Compounds

6-butan-2-yl-5,7-dioxaspiro[2.5]octane
CID 143310520
5-butan-2-yl-2-cyclohex-3-en-1-yl-5-methyl-1,3-dioxane
CID 19803377
5-butan-2-yl-2-[(4Z)-cyclooct-4-en-1-yl]-5-methyl-1,3-dioxane
CID 22924804
1-butan-2-yl-1,2-dimethyl-5-pentan-2-ylcyclopentane
CID 123986680
1-methyl-1-pentan-2-ylcyclopropane
CID 57204658
2-methyl-2-pentan-2-yloxirane
CID 139725922
(2S)-4,4-dimethyl-2-pentan-3-yl-1,3-dioxolane
CID 134947588
5-butan-2-yl-5-methyl-2-(3,5,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane
CID 19803375
1,2-di(pentan-2-yl)cyclopropane
CID 123763474
2-[3-(1-hydroxypropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-1-ol
CID 69400838
1,1,2-trimethyl-2-pentan-2-ylcyclopropane
CID 123201707
1-butan-2-yl-1-methylcyclobutane;ethane
CID 167444741

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-5-methyl-2-pentan-2-yl-1,3-dioxane?
The IUPAC name of 5-butan-2-yl-5-methyl-2-pentan-2-yl-1,3-dioxane (CID 20509704) is 5-butan-2-yl-5-methyl-2-pentan-2-yl-1,3-dioxane.
What is the SMILES notation for 5-butan-2-yl-5-methyl-2-pentan-2-yl-1,3-dioxane?
The canonical SMILES for 5-butan-2-yl-5-methyl-2-pentan-2-yl-1,3-dioxane is CCCC(C)C1OCC(C)(C(C)CC)CO1.
What is the InChIKey of 5-butan-2-yl-5-methyl-2-pentan-2-yl-1,3-dioxane?
The InChIKey is LVMQHDGOMOLMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-6-8-11(3)13-15-9-14(5,10-16-13)12(4)7-2/h11-13H,6-10H2,1-5H3.
What are the key properties of 5-butan-2-yl-5-methyl-2-pentan-2-yl-1,3-dioxane?
5-butan-2-yl-5-methyl-2-pentan-2-yl-1,3-dioxane has a molecular weight of 228.38 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-5-methyl-2-pentan-2-yl-1,3-dioxane is sourced from PubChem (CID 20509704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).