5-hexyl-2,3-dihydro-1,4-dioxine

C10H18O2 — CID 139761787

IUPAC5-hexyl-2,3-dihydro-1,4-dioxine
SMILESCCCCCCC1=COCCO1
InChIInChI=1S/C10H18O2/c1-2-3-4-5-6-10-9-11-7-8-12-10/h9H,2-8H2,1H3
InChIKeyIUDOQBGOZGFZAM-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.85
Rot. Bonds5

About 5-hexyl-2,3-dihydro-1,4-dioxine

5-hexyl-2,3-dihydro-1,4-dioxine (PubChem CID 139761787) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 5-hexyl-2,3-dihydro-1,4-dioxine.

Molecular Properties

Compound Name5-hexyl-2,3-dihydro-1,4-dioxine
PubChem CID139761787
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name5-hexyl-2,3-dihydro-1,4-dioxine
SMILESCCCCCCC1=COCCO1
InChIInChI=1S/C10H18O2/c1-2-3-4-5-6-10-9-11-7-8-12-10/h9H,2-8H2,1H3
InChIKeyIUDOQBGOZGFZAM-UHFFFAOYSA-N
XLogP2.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-hexyl-2,3-dihydro-1,4-dioxine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Ethoxynon-1-ene
CID 12385679
2-Nonyl-1,4-dioxine
CID 57047586
(2-Methoxyethyl)cyclododecenyl ether
CID 70477690
n-Octyl-pentaoxyethylene
CID 129682506
n-Hexyl-hexaoxyethylen-alkohol
CID 129888244
8-[2-(2-Methoxyethoxy)ethoxy]oct-1-ene
CID 13959113
2-(1-Propoxybut-3-en-1-yl)-3,4-dihydro-2H-pyran
CID 19778714
2-Hexyl-1,4-dioxine
CID 19982960
2-Ethoxyoct-1-ene
CID 20333583
(1Z)-1-(2-methoxyethoxy)cyclododecene
CID 20405372
1-(2-Methoxyethoxy)cyclododec-1-ene
CID 53892795
2-(ethoxymethyl)-5-methyl-3,4-dihydro-2H-pyran
CID 70503984

Frequently Asked Questions

What is the IUPAC name of 5-hexyl-2,3-dihydro-1,4-dioxine?
The IUPAC name of 5-hexyl-2,3-dihydro-1,4-dioxine (CID 139761787) is 5-hexyl-2,3-dihydro-1,4-dioxine.
What is the SMILES notation for 5-hexyl-2,3-dihydro-1,4-dioxine?
The canonical SMILES for 5-hexyl-2,3-dihydro-1,4-dioxine is CCCCCCC1=COCCO1.
What is the InChIKey of 5-hexyl-2,3-dihydro-1,4-dioxine?
The InChIKey is IUDOQBGOZGFZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-2-3-4-5-6-10-9-11-7-8-12-10/h9H,2-8H2,1H3.
What are the key properties of 5-hexyl-2,3-dihydro-1,4-dioxine?
5-hexyl-2,3-dihydro-1,4-dioxine has a molecular weight of 170.25 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-2,3-dihydro-1,4-dioxine is sourced from PubChem (CID 139761787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).