(3R)-3-decyl-2,2-dimethyloxirane

C14H28O — CID 54190941

IUPAC(3R)-3-decyl-2,2-dimethyloxirane
SMILESCCCCCCCCCC[C@H]1OC1(C)C
InChIInChI=1S/C14H28O/c1-4-5-6-7-8-9-10-11-12-13-14(2,3)15-13/h13H,4-12H2,1-3H3/t13-/m1/s1
InChIKeyPILSACBVEGDJRQ-CYBMUJFWSA-N
MW212.38 g/mol
LogP4.69
Rot. Bonds9

About (3R)-3-decyl-2,2-dimethyloxirane

(3R)-3-decyl-2,2-dimethyloxirane (PubChem CID 54190941) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is (3R)-3-decyl-2,2-dimethyloxirane.

Molecular Properties

Compound Name(3R)-3-decyl-2,2-dimethyloxirane
PubChem CID54190941
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name(3R)-3-decyl-2,2-dimethyloxirane
SMILESCCCCCCCCCC[C@H]1OC1(C)C
InChIInChI=1S/C14H28O/c1-4-5-6-7-8-9-10-11-12-13-14(2,3)15-13/h13H,4-12H2,1-3H3/t13-/m1/s1
InChIKeyPILSACBVEGDJRQ-CYBMUJFWSA-N
XLogP4.69
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-decyl-2,2-dimethyloxirane?
The IUPAC name of (3R)-3-decyl-2,2-dimethyloxirane (CID 54190941) is (3R)-3-decyl-2,2-dimethyloxirane.
What is the SMILES notation for (3R)-3-decyl-2,2-dimethyloxirane?
The canonical SMILES for (3R)-3-decyl-2,2-dimethyloxirane is CCCCCCCCCC[C@H]1OC1(C)C.
What is the InChIKey of (3R)-3-decyl-2,2-dimethyloxirane?
The InChIKey is PILSACBVEGDJRQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H28O/c1-4-5-6-7-8-9-10-11-12-13-14(2,3)15-13/h13H,4-12H2,1-3H3/t13-/m1/s1.
What are the key properties of (3R)-3-decyl-2,2-dimethyloxirane?
(3R)-3-decyl-2,2-dimethyloxirane has a molecular weight of 212.38 g/mol, XLogP of 4.69, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-decyl-2,2-dimethyloxirane is sourced from PubChem (CID 54190941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).