dioxane;hexan-1-ol

C10H22O3 — CID 174438988

IUPACdioxane;hexan-1-ol
SMILESC1CCOOC1.CCCCCCO
InChIInChI=1S/C6H14O.C4H8O2/c1-2-3-4-5-6-7;1-2-4-6-5-3-1/h7H,2-6H2,1H3;1-4H2
InChIKeyMWNHSPANGWVSJU-UHFFFAOYSA-N
MW190.28 g/mol
LogP2.29
Rot. Bonds4

About dioxane;hexan-1-ol

dioxane;hexan-1-ol (PubChem CID 174438988) has the molecular formula C10H22O3 and a molecular weight of 190.28 g/mol. Its IUPAC name is dioxane;hexan-1-ol.

Molecular Properties

Compound Namedioxane;hexan-1-ol
PubChem CID174438988
Molecular FormulaC10H22O3
Molecular Weight190.28 g/mol
Exact Mass190.16
IUPAC Namedioxane;hexan-1-ol
SMILESC1CCOOC1.CCCCCCO
InChIInChI=1S/C6H14O.C4H8O2/c1-2-3-4-5-6-7;1-2-4-6-5-3-1/h7H,2-6H2,1H3;1-4H2
InChIKeyMWNHSPANGWVSJU-UHFFFAOYSA-N
XLogP2.29
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze dioxane;hexan-1-ol 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

decan-1-ol;oxolane;hydrate
CID 174935070
dodecan-1-ol;methanol;oxolane
CID 174811054
cyclopentane;heptan-1-ol
CID 67743397
decan-1-ol;hydrofluoride
CID 158778674
cyclohexane;bis(pentan-1-ol)
CID 159060972
cycloheptane;bis(pentan-1-ol)
CID 140562210
hexan-1-ol;nonane
CID 175106830
decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432
heptan-1-ol;nonan-1-ol
CID 160785033
undecan-1-ol
CID 122455065

Frequently Asked Questions

What is the IUPAC name of dioxane;hexan-1-ol?
The IUPAC name of dioxane;hexan-1-ol (CID 174438988) is dioxane;hexan-1-ol.
What is the SMILES notation for dioxane;hexan-1-ol?
The canonical SMILES for dioxane;hexan-1-ol is C1CCOOC1.CCCCCCO.
What is the InChIKey of dioxane;hexan-1-ol?
The InChIKey is MWNHSPANGWVSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.C4H8O2/c1-2-3-4-5-6-7;1-2-4-6-5-3-1/h7H,2-6H2,1H3;1-4H2.
What are the key properties of dioxane;hexan-1-ol?
dioxane;hexan-1-ol has a molecular weight of 190.28 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dioxane;hexan-1-ol is sourced from PubChem (CID 174438988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).