2-decan-2-yl-3-(methoxymethyl)oxirane

C14H28O2 — CID 174933088

IUPAC2-decan-2-yl-3-(methoxymethyl)oxirane
SMILESCCCCCCCCC(C)C1OC1COC
InChIInChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-12(2)14-13(16-14)11-15-3/h12-14H,4-11H2,1-3H3
InChIKeyDYEFKLZZLADEEH-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.79
Rot. Bonds10

About 2-decan-2-yl-3-(methoxymethyl)oxirane

2-decan-2-yl-3-(methoxymethyl)oxirane (PubChem CID 174933088) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-decan-2-yl-3-(methoxymethyl)oxirane.

Molecular Properties

Compound Name2-decan-2-yl-3-(methoxymethyl)oxirane
PubChem CID174933088
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name2-decan-2-yl-3-(methoxymethyl)oxirane
SMILESCCCCCCCCC(C)C1OC1COC
InChIInChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-12(2)14-13(16-14)11-15-3/h12-14H,4-11H2,1-3H3
InChIKeyDYEFKLZZLADEEH-UHFFFAOYSA-N
XLogP3.79
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.79
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 2-decan-2-yl-3-(methoxymethyl)oxirane?
The IUPAC name of 2-decan-2-yl-3-(methoxymethyl)oxirane (CID 174933088) is 2-decan-2-yl-3-(methoxymethyl)oxirane.
What is the SMILES notation for 2-decan-2-yl-3-(methoxymethyl)oxirane?
The canonical SMILES for 2-decan-2-yl-3-(methoxymethyl)oxirane is CCCCCCCCC(C)C1OC1COC.
What is the InChIKey of 2-decan-2-yl-3-(methoxymethyl)oxirane?
The InChIKey is DYEFKLZZLADEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-12(2)14-13(16-14)11-15-3/h12-14H,4-11H2,1-3H3.
What are the key properties of 2-decan-2-yl-3-(methoxymethyl)oxirane?
2-decan-2-yl-3-(methoxymethyl)oxirane has a molecular weight of 228.38 g/mol, XLogP of 3.79, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decan-2-yl-3-(methoxymethyl)oxirane is sourced from PubChem (CID 174933088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).