2-heptyl-2-octyl-1,3-dioxole

C18H34O2 — CID 141318565

IUPAC2-heptyl-2-octyl-1,3-dioxole
SMILESCCCCCCCCC1(CCCCCCC)OC=CO1
InChIInChI=1S/C18H34O2/c1-3-5-7-9-11-13-15-18(19-16-17-20-18)14-12-10-8-6-4-2/h16-17H,3-15H2,1-2H3
InChIKeyZVEAFJKFFMDBQL-UHFFFAOYSA-N
MW282.47 g/mol
LogP6.31
Rot. Bonds13

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

2-heptyl-2-octyl-1,3-dioxole (PubChem CID 141318565) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-heptyl-2-octyl-1,3-dioxole.

Molecular Properties

Compound Name2-heptyl-2-octyl-1,3-dioxole
PubChem CID141318565
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name2-heptyl-2-octyl-1,3-dioxole
SMILESCCCCCCCCC1(CCCCCCC)OC=CO1
InChIInChI=1S/C18H34O2/c1-3-5-7-9-11-13-15-18(19-16-17-20-18)14-12-10-8-6-4-2/h16-17H,3-15H2,1-2H3
InChIKeyZVEAFJKFFMDBQL-UHFFFAOYSA-N
XLogP6.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 56.31
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

2-benzyl-2-hexyl-1,3-dioxole
CID 141318556
3,3,6,6,9,9-hexapentyl-1,2,4,5,7,8-hexaoxonane
CID 10745423
3-ethyl-3-octyldioxirane
CID 89239410
2-heptyl-2-octyl-1,3-dioxolane
CID 89440490
2-dodecyl-2-heptyl-1,3-dioxolane
CID 89440443
heptane;platinum
CID 160745252
2-dodecyl-2-heptyl-1,3-dioxane
CID 89440122
2-dodecyl-2-ethyl-1,3-dioxolane
CID 89440432
ethane;2-heptyl-2-propyl-1,3-dioxolane
CID 144819660
2-heptyl-2-propyl-1,3-dioxane
CID 89440265
decane;heptane
CID 159049036
CID 161246447
CID 161246447

Frequently Asked Questions

What is the IUPAC name of 2-heptyl-2-octyl-1,3-dioxole?
The IUPAC name of 2-heptyl-2-octyl-1,3-dioxole (CID 141318565) is 2-heptyl-2-octyl-1,3-dioxole.
What is the SMILES notation for 2-heptyl-2-octyl-1,3-dioxole?
The canonical SMILES for 2-heptyl-2-octyl-1,3-dioxole is CCCCCCCCC1(CCCCCCC)OC=CO1.
What is the InChIKey of 2-heptyl-2-octyl-1,3-dioxole?
The InChIKey is ZVEAFJKFFMDBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-3-5-7-9-11-13-15-18(19-16-17-20-18)14-12-10-8-6-4-2/h16-17H,3-15H2,1-2H3.
What are the key properties of 2-heptyl-2-octyl-1,3-dioxole?
2-heptyl-2-octyl-1,3-dioxole has a molecular weight of 282.47 g/mol, XLogP of 6.31, 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-dioxole is sourced from PubChem (CID 141318565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).