2,4-dipentyl-1,3-dioxane

C14H28O2 — CID 526993

IUPAC2,4-dipentyl-1,3-dioxane
SMILESCCCCCC1CCOC(CCCCC)O1
InChIInChI=1S/C14H28O2/c1-3-5-7-9-13-11-12-15-14(16-13)10-8-6-4-2/h13-14H,3-12H2,1-2H3
InChIKeyJTGGXBHDIVDFHP-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.28
Rot. Bonds8

About 2,4-dipentyl-1,3-dioxane

2,4-dipentyl-1,3-dioxane (PubChem CID 526993) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2,4-dipentyl-1,3-dioxane.

Molecular Properties

Compound Name2,4-dipentyl-1,3-dioxane
PubChem CID526993
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name2,4-dipentyl-1,3-dioxane
SMILESCCCCCC1CCOC(CCCCC)O1
InChIInChI=1S/C14H28O2/c1-3-5-7-9-13-11-12-15-14(16-13)10-8-6-4-2/h13-14H,3-12H2,1-2H3
InChIKeyJTGGXBHDIVDFHP-UHFFFAOYSA-N
XLogP4.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.28
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

Nonane, 1,1-diethoxy-
CID 108625
1,1-Diethoxyoctane
CID 101364
Formaldehyde cyclododecyl ethyl acetal
CID 94111
1,1-Diethoxydecane
CID 101363
Acetaldehyde 1,3-octanediol acetal
CID 11105826
(1-Ethoxyethoxy)cyclododecane
CID 22717736
Cyclododecane, (methoxymethoxy)-
CID 162061
2-Hexyl-2,4-dimethyl-1,3-dioxane
CID 22718
2-Octyloxytetrahydro-2H-pyran
CID 4584270
1,3-Dioxane, 2-pentyl-
CID 79745
1,3-Dioxane, 4-hexyl-
CID 102774
1,3-Dioxane, 2-hexyl-4-methyl-
CID 95401

Frequently Asked Questions

What is the IUPAC name of 2,4-dipentyl-1,3-dioxane?
The IUPAC name of 2,4-dipentyl-1,3-dioxane (CID 526993) is 2,4-dipentyl-1,3-dioxane.
What is the SMILES notation for 2,4-dipentyl-1,3-dioxane?
The canonical SMILES for 2,4-dipentyl-1,3-dioxane is CCCCCC1CCOC(CCCCC)O1.
What is the InChIKey of 2,4-dipentyl-1,3-dioxane?
The InChIKey is JTGGXBHDIVDFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-3-5-7-9-13-11-12-15-14(16-13)10-8-6-4-2/h13-14H,3-12H2,1-2H3.
What are the key properties of 2,4-dipentyl-1,3-dioxane?
2,4-dipentyl-1,3-dioxane has a molecular weight of 228.38 g/mol, XLogP of 4.28, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dipentyl-1,3-dioxane is sourced from PubChem (CID 526993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).