4-octyl-1,3-dioxolane

C11H22O2 — CID 15569281

IUPAC4-octyl-1,3-dioxolane
SMILESCCCCCCCCC1COCO1
InChIInChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-11-9-12-10-13-11/h11H,2-10H2,1H3
InChIKeyKKHCORREYDFUFT-UHFFFAOYSA-N
MW186.29 g/mol
LogP3.11
Rot. Bonds7

About 4-octyl-1,3-dioxolane

4-octyl-1,3-dioxolane (PubChem CID 15569281) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 4-octyl-1,3-dioxolane.

Molecular Properties

Compound Name4-octyl-1,3-dioxolane
PubChem CID15569281
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name4-octyl-1,3-dioxolane
SMILESCCCCCCCCC1COCO1
InChIInChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-11-9-12-10-13-11/h11H,2-10H2,1H3
InChIKeyKKHCORREYDFUFT-UHFFFAOYSA-N
XLogP3.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-octyl-1,3-dioxolane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-octyl-1,3-dioxolane?
The IUPAC name of 4-octyl-1,3-dioxolane (CID 15569281) is 4-octyl-1,3-dioxolane.
What is the SMILES notation for 4-octyl-1,3-dioxolane?
The canonical SMILES for 4-octyl-1,3-dioxolane is CCCCCCCCC1COCO1.
What is the InChIKey of 4-octyl-1,3-dioxolane?
The InChIKey is KKHCORREYDFUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-11-9-12-10-13-11/h11H,2-10H2,1H3.
What are the key properties of 4-octyl-1,3-dioxolane?
4-octyl-1,3-dioxolane has a molecular weight of 186.29 g/mol, XLogP of 3.11, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-octyl-1,3-dioxolane is sourced from PubChem (CID 15569281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).