3-cyclododecyl-2,2-dimethyloxirane

C16H30O — CID 84820740

IUPAC3-cyclododecyl-2,2-dimethyloxirane
SMILESCC1(C)OC1C1CCCCCCCCCCC1
InChIInChI=1S/C16H30O/c1-16(2)15(17-16)14-12-10-8-6-4-3-5-7-9-11-13-14/h14-15H,3-13H2,1-2H3
InChIKeyNNAYFJYFINIOHJ-UHFFFAOYSA-N
MW238.41 g/mol
LogP5.08
Rot. Bonds1

About 3-cyclododecyl-2,2-dimethyloxirane

3-cyclododecyl-2,2-dimethyloxirane (PubChem CID 84820740) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 3-cyclododecyl-2,2-dimethyloxirane.

Molecular Properties

Compound Name3-cyclododecyl-2,2-dimethyloxirane
PubChem CID84820740
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name3-cyclododecyl-2,2-dimethyloxirane
SMILESCC1(C)OC1C1CCCCCCCCCCC1
InChIInChI=1S/C16H30O/c1-16(2)15(17-16)14-12-10-8-6-4-3-5-7-9-11-13-14/h14-15H,3-13H2,1-2H3
InChIKeyNNAYFJYFINIOHJ-UHFFFAOYSA-N
XLogP5.08
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclododecyl-2,2-dimethyloxirane?
The IUPAC name of 3-cyclododecyl-2,2-dimethyloxirane (CID 84820740) is 3-cyclododecyl-2,2-dimethyloxirane.
What is the SMILES notation for 3-cyclododecyl-2,2-dimethyloxirane?
The canonical SMILES for 3-cyclododecyl-2,2-dimethyloxirane is CC1(C)OC1C1CCCCCCCCCCC1.
What is the InChIKey of 3-cyclododecyl-2,2-dimethyloxirane?
The InChIKey is NNAYFJYFINIOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-16(2)15(17-16)14-12-10-8-6-4-3-5-7-9-11-13-14/h14-15H,3-13H2,1-2H3.
What are the key properties of 3-cyclododecyl-2,2-dimethyloxirane?
3-cyclododecyl-2,2-dimethyloxirane has a molecular weight of 238.41 g/mol, XLogP of 5.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclododecyl-2,2-dimethyloxirane is sourced from PubChem (CID 84820740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).