2-heptyl-2-octyl-1,3-dioxolane

C18H36O2 — CID 89440490

IUPAC2-heptyl-2-octyl-1,3-dioxolane
SMILESCCCCCCCCC1(CCCCCCC)OCCO1
InChIInChI=1S/C18H36O2/c1-3-5-7-9-11-13-15-18(19-16-17-20-18)14-12-10-8-6-4-2/h3-17H2,1-2H3
InChIKeyNIIHEAHJXWXBNW-UHFFFAOYSA-N
MW284.48 g/mol
LogP5.84
Rot. Bonds13

About 2-heptyl-2-octyl-1,3-dioxolane

2-heptyl-2-octyl-1,3-dioxolane (PubChem CID 89440490) has the molecular formula C18H36O2 and a molecular weight of 284.48 g/mol. Its IUPAC name is 2-heptyl-2-octyl-1,3-dioxolane.

Molecular Properties

Compound Name2-heptyl-2-octyl-1,3-dioxolane
PubChem CID89440490
Molecular FormulaC18H36O2
Molecular Weight284.48 g/mol
Exact Mass284.27
IUPAC Name2-heptyl-2-octyl-1,3-dioxolane
SMILESCCCCCCCCC1(CCCCCCC)OCCO1
InChIInChI=1S/C18H36O2/c1-3-5-7-9-11-13-15-18(19-16-17-20-18)14-12-10-8-6-4-2/h3-17H2,1-2H3
InChIKeyNIIHEAHJXWXBNW-UHFFFAOYSA-N
XLogP5.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.48
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-heptyl-2-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

Related Compounds

2-dodecyl-2-heptyl-1,3-dioxolane
CID 89440443
ethane;2-heptyl-2-propyl-1,3-dioxolane
CID 144819660
2-dodecyl-2-heptyl-1,3-dioxane
CID 89440122
2-dodecyl-2-ethyl-1,3-dioxolane
CID 89440432
7-(2-decyl-1,3-dioxolan-2-yl)heptan-1-ol
CID 10359175
2-heptadec-8-enyl-2-heptyl-1,3-dioxolane
CID 72578433
2-heptyl-2-propyl-1,3-dioxane
CID 89440265
2-heptyl-2-oct-7-ynyl-1,3-dioxolane
CID 57412166
2-hexyl-2-oct-7-ynyl-1,3-dioxolane
CID 71517735
12-(2-nonyl-1,3-dioxolan-2-yl)dodecanoic acid
CID 123235392
1-(2-nonyl-1,3-dioxolan-2-yl)propan-2-one
CID 21301805
9-(2-hexyl-1,3-dioxolan-2-yl)non-4-yn-1-ol
CID 134971552

Frequently Asked Questions

What is the IUPAC name of 2-heptyl-2-octyl-1,3-dioxolane?
The IUPAC name of 2-heptyl-2-octyl-1,3-dioxolane (CID 89440490) is 2-heptyl-2-octyl-1,3-dioxolane.
What is the SMILES notation for 2-heptyl-2-octyl-1,3-dioxolane?
The canonical SMILES for 2-heptyl-2-octyl-1,3-dioxolane is CCCCCCCCC1(CCCCCCC)OCCO1.
What is the InChIKey of 2-heptyl-2-octyl-1,3-dioxolane?
The InChIKey is NIIHEAHJXWXBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2/c1-3-5-7-9-11-13-15-18(19-16-17-20-18)14-12-10-8-6-4-2/h3-17H2,1-2H3.
What are the key properties of 2-heptyl-2-octyl-1,3-dioxolane?
2-heptyl-2-octyl-1,3-dioxolane has a molecular weight of 284.48 g/mol, XLogP of 5.84, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-2-octyl-1,3-dioxolane is sourced from PubChem (CID 89440490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).