2-(11-methyldodecoxymethyl)oxirane

C16H32O2 — CID 6454744

IUPAC2-(11-methyldodecoxymethyl)oxirane
SMILESCC(C)CCCCCCCCCCOCC1CO1
InChIInChI=1S/C16H32O2/c1-15(2)11-9-7-5-3-4-6-8-10-12-17-13-16-14-18-16/h15-16H,3-14H2,1-2H3
InChIKeyOIPZQYANGIDALK-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.57
Rot. Bonds13

About 2-(11-methyldodecoxymethyl)oxirane

2-(11-methyldodecoxymethyl)oxirane (PubChem CID 6454744) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-(11-methyldodecoxymethyl)oxirane.

Molecular Properties

Compound Name2-(11-methyldodecoxymethyl)oxirane
PubChem CID6454744
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name2-(11-methyldodecoxymethyl)oxirane
SMILESCC(C)CCCCCCCCCCOCC1CO1
InChIInChI=1S/C16H32O2/c1-15(2)11-9-7-5-3-4-6-8-10-12-17-13-16-14-18-16/h15-16H,3-14H2,1-2H3
InChIKeyOIPZQYANGIDALK-UHFFFAOYSA-N
XLogP4.57
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.57
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-(11-methyldodecoxymethyl)oxirane?
The IUPAC name of 2-(11-methyldodecoxymethyl)oxirane (CID 6454744) is 2-(11-methyldodecoxymethyl)oxirane.
What is the SMILES notation for 2-(11-methyldodecoxymethyl)oxirane?
The canonical SMILES for 2-(11-methyldodecoxymethyl)oxirane is CC(C)CCCCCCCCCCOCC1CO1.
What is the InChIKey of 2-(11-methyldodecoxymethyl)oxirane?
The InChIKey is OIPZQYANGIDALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-15(2)11-9-7-5-3-4-6-8-10-12-17-13-16-14-18-16/h15-16H,3-14H2,1-2H3.
What are the key properties of 2-(11-methyldodecoxymethyl)oxirane?
2-(11-methyldodecoxymethyl)oxirane has a molecular weight of 256.43 g/mol, XLogP of 4.57, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11-methyldodecoxymethyl)oxirane is sourced from PubChem (CID 6454744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).