1,4-dioxane;1-pentoxypentane

C14H30O3 — CID 174356603

IUPAC1,4-dioxane;1-pentoxypentane
SMILESC1COCCO1.CCCCCOCCCCC
InChIInChI=1S/C10H22O.C4H8O2/c1-3-5-7-9-11-10-8-6-4-2;1-2-6-4-3-5-1/h3-10H2,1-2H3;1-4H2
InChIKeyVGFAHMVQACTUNI-UHFFFAOYSA-N
MW246.39 g/mol
LogP3.42
Rot. Bonds8

About 1,4-dioxane;1-pentoxypentane

1,4-dioxane;1-pentoxypentane (PubChem CID 174356603) has the molecular formula C14H30O3 and a molecular weight of 246.39 g/mol. Its IUPAC name is 1,4-dioxane;1-pentoxypentane.

Molecular Properties

Compound Name1,4-dioxane;1-pentoxypentane
PubChem CID174356603
Molecular FormulaC14H30O3
Molecular Weight246.39 g/mol
Exact Mass246.22
IUPAC Name1,4-dioxane;1-pentoxypentane
SMILESC1COCCO1.CCCCCOCCCCC
InChIInChI=1S/C10H22O.C4H8O2/c1-3-5-7-9-11-10-8-6-4-2;1-2-6-4-3-5-1/h3-10H2,1-2H3;1-4H2
InChIKeyVGFAHMVQACTUNI-UHFFFAOYSA-N
XLogP3.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butoxybutane;oxane
CID 22595543
disodium;1-hexadecoxyhexadecane;oxirane;sulfate
CID 174533753
pentane;1-propoxypentane
CID 174500651
1-decoxydocosane
CID 87077677
1,4-dioxane;tetradecane
CID 159034856
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
1-dodecoxyhexadecane
CID 22256973
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxane;1-pentoxypentane?
The IUPAC name of 1,4-dioxane;1-pentoxypentane (CID 174356603) is 1,4-dioxane;1-pentoxypentane.
What is the SMILES notation for 1,4-dioxane;1-pentoxypentane?
The canonical SMILES for 1,4-dioxane;1-pentoxypentane is C1COCCO1.CCCCCOCCCCC.
What is the InChIKey of 1,4-dioxane;1-pentoxypentane?
The InChIKey is VGFAHMVQACTUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O.C4H8O2/c1-3-5-7-9-11-10-8-6-4-2;1-2-6-4-3-5-1/h3-10H2,1-2H3;1-4H2.
What are the key properties of 1,4-dioxane;1-pentoxypentane?
1,4-dioxane;1-pentoxypentane has a molecular weight of 246.39 g/mol, XLogP of 3.42, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxane;1-pentoxypentane is sourced from PubChem (CID 174356603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).