2-hexyl-2-(2-methylpropyl)-1,3-dioxane

C14H28O2 — CID 89440656

IUPAC2-hexyl-2-(2-methylpropyl)-1,3-dioxane
SMILESCCCCCCC1(CC(C)C)OCCCO1
InChIInChI=1S/C14H28O2/c1-4-5-6-7-9-14(12-13(2)3)15-10-8-11-16-14/h13H,4-12H2,1-3H3
InChIKeyXHMCQMFRFHIMCE-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.14
Rot. Bonds7

About 2-hexyl-2-(2-methylpropyl)-1,3-dioxane

2-hexyl-2-(2-methylpropyl)-1,3-dioxane (PubChem CID 89440656) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-hexyl-2-(2-methylpropyl)-1,3-dioxane.

Molecular Properties

Compound Name2-hexyl-2-(2-methylpropyl)-1,3-dioxane
PubChem CID89440656
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name2-hexyl-2-(2-methylpropyl)-1,3-dioxane
SMILESCCCCCCC1(CC(C)C)OCCCO1
InChIInChI=1S/C14H28O2/c1-4-5-6-7-9-14(12-13(2)3)15-10-8-11-16-14/h13H,4-12H2,1-3H3
InChIKeyXHMCQMFRFHIMCE-UHFFFAOYSA-N
XLogP4.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-dodecyl-2-heptyl-1,3-dioxane
CID 89440122
2-heptyl-2-propyl-1,3-dioxane
CID 89440265
2-heptyl-2-octyl-1,3-dioxolane
CID 89440490
2-dodecyl-2-heptyl-1,3-dioxolane
CID 89440443
2-dodecyl-2-ethyl-1,3-dioxolane
CID 89440432
2-(2-cyclopentylethyl)-2-heptyl-1,3-dioxane
CID 143254980
ethane;2-heptyl-2-propyl-1,3-dioxolane
CID 144819660
7-(2-decyl-1,3-dioxolan-2-yl)heptan-1-ol
CID 10359175
2-octyl-2-propan-2-yl-1,3-dioxolane
CID 89439846
2-decyl-2-propan-2-yl-1,3-dioxolane
CID 89439062
2-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]ethanol
CID 130124161
2-heptadec-8-enyl-2-heptyl-1,3-dioxolane
CID 72578433

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-2-(2-methylpropyl)-1,3-dioxane?
The IUPAC name of 2-hexyl-2-(2-methylpropyl)-1,3-dioxane (CID 89440656) is 2-hexyl-2-(2-methylpropyl)-1,3-dioxane.
What is the SMILES notation for 2-hexyl-2-(2-methylpropyl)-1,3-dioxane?
The canonical SMILES for 2-hexyl-2-(2-methylpropyl)-1,3-dioxane is CCCCCCC1(CC(C)C)OCCCO1.
What is the InChIKey of 2-hexyl-2-(2-methylpropyl)-1,3-dioxane?
The InChIKey is XHMCQMFRFHIMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-4-5-6-7-9-14(12-13(2)3)15-10-8-11-16-14/h13H,4-12H2,1-3H3.
What are the key properties of 2-hexyl-2-(2-methylpropyl)-1,3-dioxane?
2-hexyl-2-(2-methylpropyl)-1,3-dioxane has a molecular weight of 228.38 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-2-(2-methylpropyl)-1,3-dioxane is sourced from PubChem (CID 89440656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).