(2R)-2-(undecoxymethyl)oxirane

C14H28O2 — CID 22831446

IUPAC(2R)-2-(undecoxymethyl)oxirane
SMILESCCCCCCCCCCCOC[C@H]1CO1
InChIInChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-15-12-14-13-16-14/h14H,2-13H2,1H3/t14-/m0/s1
InChIKeyHNJSJLKMMRCGKX-AWEZNQCLSA-N
MW228.38 g/mol
LogP3.93
Rot. Bonds12

About (2R)-2-(undecoxymethyl)oxirane

(2R)-2-(undecoxymethyl)oxirane (PubChem CID 22831446) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is (2R)-2-(undecoxymethyl)oxirane.

Molecular Properties

Compound Name(2R)-2-(undecoxymethyl)oxirane
PubChem CID22831446
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name(2R)-2-(undecoxymethyl)oxirane
SMILESCCCCCCCCCCCOC[C@H]1CO1
InChIInChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-15-12-14-13-16-14/h14H,2-13H2,1H3/t14-/m0/s1
InChIKeyHNJSJLKMMRCGKX-AWEZNQCLSA-N
XLogP3.93
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (2R)-2-(undecoxymethyl)oxirane?
The IUPAC name of (2R)-2-(undecoxymethyl)oxirane (CID 22831446) is (2R)-2-(undecoxymethyl)oxirane.
What is the SMILES notation for (2R)-2-(undecoxymethyl)oxirane?
The canonical SMILES for (2R)-2-(undecoxymethyl)oxirane is CCCCCCCCCCCOC[C@H]1CO1.
What is the InChIKey of (2R)-2-(undecoxymethyl)oxirane?
The InChIKey is HNJSJLKMMRCGKX-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-15-12-14-13-16-14/h14H,2-13H2,1H3/t14-/m0/s1.
What are the key properties of (2R)-2-(undecoxymethyl)oxirane?
(2R)-2-(undecoxymethyl)oxirane has a molecular weight of 228.38 g/mol, XLogP of 3.93, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(undecoxymethyl)oxirane is sourced from PubChem (CID 22831446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).