2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane

C36H72O6 — CID 71311396

IUPAC2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
SMILESCCCCCCCCCCOCC1CO1.CCCCCCCCCOCC1CO1.CCCCCCCCOCC1CO1
InChIInChI=1S/C13H26O2.C12H24O2.C11H22O2/c1-2-3-4-5-6-7-8-9-10-14-11-13-12-15-13;1-2-3-4-5-6-7-8-9-13-10-12-11-14-12;1-2-3-4-5-6-7-8-12-9-11-10-13-11/h13H,2-12H2,1H3;12H,2-11H2,1H3;11H,2-10H2,1H3
InChIKeyROYIYXFLFCALMQ-UHFFFAOYSA-N
MW600.97 g/mol
LogP9.46
Rot. Bonds30

About 2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane

2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane (PubChem CID 71311396) has the molecular formula C36H72O6 and a molecular weight of 600.97 g/mol. Its IUPAC name is 2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane.

Molecular Properties

Compound Name2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
PubChem CID71311396
Molecular FormulaC36H72O6
Molecular Weight600.97 g/mol
Exact Mass600.53
IUPAC Name2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
SMILESCCCCCCCCCCOCC1CO1.CCCCCCCCCOCC1CO1.CCCCCCCCOCC1CO1
InChIInChI=1S/C13H26O2.C12H24O2.C11H22O2/c1-2-3-4-5-6-7-8-9-10-14-11-13-12-15-13;1-2-3-4-5-6-7-8-9-13-10-12-11-14-12;1-2-3-4-5-6-7-8-12-9-11-10-13-11/h13H,2-12H2,1H3;12H,2-11H2,1H3;11H,2-10H2,1H3
InChIKeyROYIYXFLFCALMQ-UHFFFAOYSA-N
XLogP9.46
TPSA65.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds30
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.97
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005
(2S)-2-(octoxymethyl)oxirane
CID 87274801
2-(pentoxymethyl)oxirane
CID 160890113
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 71327488
2-[2-(2-tetradecoxyethoxy)ethoxymethyl]oxirane
CID 86199119
CID 166063430
CID 166063430
2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane
CID 87058991
2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038
dimethyl-octyl-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 163299953
2-(octadecoxymethyl)oxirane;bis(propane-1,2,3-triol)
CID 19926009

Frequently Asked Questions

What is the IUPAC name of 2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane?
The IUPAC name of 2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane (CID 71311396) is 2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane.
What is the SMILES notation for 2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane?
The canonical SMILES for 2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane is CCCCCCCCCCOCC1CO1.CCCCCCCCCOCC1CO1.CCCCCCCCOCC1CO1.
What is the InChIKey of 2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane?
The InChIKey is ROYIYXFLFCALMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2.C12H24O2.C11H22O2/c1-2-3-4-5-6-7-8-9-10-14-11-13-12-15-13;1-2-3-4-5-6-7-8-9-13-10-12-11-14-12;1-2-3-4-5-6-7-8-12-9-11-10-13-11/h13H,2-12H2,1H3;12H,2-11H2,1H3;11H,2-10H2,1H3.
What are the key properties of 2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane?
2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane has a molecular weight of 600.97 g/mol, XLogP of 9.46, 30 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane is sourced from PubChem (CID 71311396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).