2-dodecyl-2-ethyl-1,3-dioxolane

C17H34O2 — CID 89440432

IUPAC2-dodecyl-2-ethyl-1,3-dioxolane
SMILESCCCCCCCCCCCCC1(CC)OCCO1
InChIInChI=1S/C17H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-17(4-2)18-15-16-19-17/h3-16H2,1-2H3
InChIKeyAJDOLGMWQFPPMM-UHFFFAOYSA-N
MW270.46 g/mol
LogP5.45
Rot. Bonds12

About 2-dodecyl-2-ethyl-1,3-dioxolane

2-dodecyl-2-ethyl-1,3-dioxolane (PubChem CID 89440432) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-dodecyl-2-ethyl-1,3-dioxolane.

Molecular Properties

Compound Name2-dodecyl-2-ethyl-1,3-dioxolane
PubChem CID89440432
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Name2-dodecyl-2-ethyl-1,3-dioxolane
SMILESCCCCCCCCCCCCC1(CC)OCCO1
InChIInChI=1S/C17H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-17(4-2)18-15-16-19-17/h3-16H2,1-2H3
InChIKeyAJDOLGMWQFPPMM-UHFFFAOYSA-N
XLogP5.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 55.45
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-heptyl-2-octyl-1,3-dioxolane
CID 89440490
2-dodecyl-2-heptyl-1,3-dioxolane
CID 89440443
ethane;2-heptyl-2-propyl-1,3-dioxolane
CID 144819660
2-(9-bromononyl)-2-ethyl-1,3-dioxolane
CID 10852234
2-dodecyl-2-heptyl-1,3-dioxane
CID 89440122
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
3-ethyl-3-octyldioxirane
CID 89239410
1-(2-nonyl-1,3-dioxolan-2-yl)propan-2-one
CID 21301805
2-heptyl-2-oct-7-ynyl-1,3-dioxolane
CID 57412166
2-hexyl-2-oct-7-ynyl-1,3-dioxolane
CID 71517735

Frequently Asked Questions

What is the IUPAC name of 2-dodecyl-2-ethyl-1,3-dioxolane?
The IUPAC name of 2-dodecyl-2-ethyl-1,3-dioxolane (CID 89440432) is 2-dodecyl-2-ethyl-1,3-dioxolane.
What is the SMILES notation for 2-dodecyl-2-ethyl-1,3-dioxolane?
The canonical SMILES for 2-dodecyl-2-ethyl-1,3-dioxolane is CCCCCCCCCCCCC1(CC)OCCO1.
What is the InChIKey of 2-dodecyl-2-ethyl-1,3-dioxolane?
The InChIKey is AJDOLGMWQFPPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-17(4-2)18-15-16-19-17/h3-16H2,1-2H3.
What are the key properties of 2-dodecyl-2-ethyl-1,3-dioxolane?
2-dodecyl-2-ethyl-1,3-dioxolane has a molecular weight of 270.46 g/mol, XLogP of 5.45, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecyl-2-ethyl-1,3-dioxolane is sourced from PubChem (CID 89440432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).