(2R)-2-undecyloxirane

C13H26O — CID 11264083

IUPAC(2R)-2-undecyloxirane
SMILESCCCCCCCCCCC[C@@H]1CO1
InChIInChI=1S/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-13-12-14-13/h13H,2-12H2,1H3/t13-/m1/s1
InChIKeyZKAPVLMBPUYKKP-CYBMUJFWSA-N
MW198.35 g/mol
LogP4.31
Rot. Bonds10

About (2R)-2-undecyloxirane

(2R)-2-undecyloxirane (PubChem CID 11264083) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is (2R)-2-undecyloxirane.

Molecular Properties

Compound Name(2R)-2-undecyloxirane
PubChem CID11264083
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name(2R)-2-undecyloxirane
SMILESCCCCCCCCCCC[C@@H]1CO1
InChIInChI=1S/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-13-12-14-13/h13H,2-12H2,1H3/t13-/m1/s1
InChIKeyZKAPVLMBPUYKKP-CYBMUJFWSA-N
XLogP4.31
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.31
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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Related Compounds

1-Dodecyl glycidyl ether
CID 17163
1,2-Epoxyhexadecane
CID 23741
1,2-Epoxydodecane
CID 17858
1,2-Epoxydecane
CID 16993
1,2-Epoxytetradecane
CID 18604
Decane, 1-methoxy-
CID 23716
13-Oxabicyclo[10.1.0]tridecane
CID 9248
1,2-Epoxyoctadecane
CID 23872
1-Methoxyoctane
CID 70247
Dodecane, 1-methoxy-
CID 77032
2-Hexyloxirane
CID 18126
Cyclododecane, methoxy-
CID 76334

Frequently Asked Questions

What is the IUPAC name of (2R)-2-undecyloxirane?
The IUPAC name of (2R)-2-undecyloxirane (CID 11264083) is (2R)-2-undecyloxirane.
What is the SMILES notation for (2R)-2-undecyloxirane?
The canonical SMILES for (2R)-2-undecyloxirane is CCCCCCCCCCC[C@@H]1CO1.
What is the InChIKey of (2R)-2-undecyloxirane?
The InChIKey is ZKAPVLMBPUYKKP-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-13-12-14-13/h13H,2-12H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-2-undecyloxirane?
(2R)-2-undecyloxirane has a molecular weight of 198.35 g/mol, XLogP of 4.31, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-undecyloxirane is sourced from PubChem (CID 11264083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).