1,4-dioxane;tetradecane

C18H38O2 — CID 159034856

IUPAC1,4-dioxane;tetradecane
SMILESC1COCCO1.CCCCCCCCCCCCCC
InChIInChI=1S/C14H30.C4H8O2/c1-3-5-7-9-11-13-14-12-10-8-6-4-2;1-2-6-4-3-5-1/h3-14H2,1-2H3;1-4H2
InChIKeyJVIKMRKQBKFQLX-UHFFFAOYSA-N
MW286.50 g/mol
LogP5.74
Rot. Bonds11

About 1,4-dioxane;tetradecane

1,4-dioxane;tetradecane (PubChem CID 159034856) has the molecular formula C18H38O2 and a molecular weight of 286.50 g/mol. Its IUPAC name is 1,4-dioxane;tetradecane.

Molecular Properties

Compound Name1,4-dioxane;tetradecane
PubChem CID159034856
Molecular FormulaC18H38O2
Molecular Weight286.50 g/mol
Exact Mass286.29
IUPAC Name1,4-dioxane;tetradecane
SMILESC1COCCO1.CCCCCCCCCCCCCC
InChIInChI=1S/C14H30.C4H8O2/c1-3-5-7-9-11-13-14-12-10-8-6-4-2;1-2-6-4-3-5-1/h3-14H2,1-2H3;1-4H2
InChIKeyJVIKMRKQBKFQLX-UHFFFAOYSA-N
XLogP5.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 55.74
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

heptane;hexane;octane;pentane
CID 159214735
tetrakis(nonane);bis(pentane)
CID 158390230
octane;pentane
CID 19101448
1,4-dioxane;1-pentoxypentane
CID 174356603
ethane;heptane;pentane
CID 142269041
ethoxyethane;heptane;oxolane
CID 86588588
4-octyl-1,4-oxaphosphinane
CID 23280174
(1,2,3,4,5,6,7,8,9,10,11,12-13C12)dodecane
CID 71309250
dodecane;pentadecane
CID 162065772
dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxane;tetradecane?
The IUPAC name of 1,4-dioxane;tetradecane (CID 159034856) is 1,4-dioxane;tetradecane.
What is the SMILES notation for 1,4-dioxane;tetradecane?
The canonical SMILES for 1,4-dioxane;tetradecane is C1COCCO1.CCCCCCCCCCCCCC.
What is the InChIKey of 1,4-dioxane;tetradecane?
The InChIKey is JVIKMRKQBKFQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30.C4H8O2/c1-3-5-7-9-11-13-14-12-10-8-6-4-2;1-2-6-4-3-5-1/h3-14H2,1-2H3;1-4H2.
What are the key properties of 1,4-dioxane;tetradecane?
1,4-dioxane;tetradecane has a molecular weight of 286.50 g/mol, XLogP of 5.74, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxane;tetradecane is sourced from PubChem (CID 159034856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).