2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane

C28H56O4 — CID 174518537

IUPAC2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
SMILESCCCCCCCCCCCCCCOCC1CO1.CCCCCCCCOCC1CO1
InChIInChI=1S/C17H34O2.C11H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15-17-16-19-17;1-2-3-4-5-6-7-8-12-9-11-10-13-11/h17H,2-16H2,1H3;11H,2-10H2,1H3
InChIKeyGQUPKLSVTYYKMR-UHFFFAOYSA-N
MW456.75 g/mol
LogP7.87
Rot. Bonds24

About 2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane

2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane (PubChem CID 174518537) has the molecular formula C28H56O4 and a molecular weight of 456.75 g/mol. Its IUPAC name is 2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane.

Molecular Properties

Compound Name2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
PubChem CID174518537
Molecular FormulaC28H56O4
Molecular Weight456.75 g/mol
Exact Mass456.42
IUPAC Name2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
SMILESCCCCCCCCCCCCCCOCC1CO1.CCCCCCCCOCC1CO1
InChIInChI=1S/C17H34O2.C11H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15-17-16-19-17;1-2-3-4-5-6-7-8-12-9-11-10-13-11/h17H,2-16H2,1H3;11H,2-10H2,1H3
InChIKeyGQUPKLSVTYYKMR-UHFFFAOYSA-N
XLogP7.87
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.75
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
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-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane?
The IUPAC name of 2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane (CID 174518537) is 2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane.
What is the SMILES notation for 2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane?
The canonical SMILES for 2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane is CCCCCCCCCCCCCCOCC1CO1.CCCCCCCCOCC1CO1.
What is the InChIKey of 2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane?
The InChIKey is GQUPKLSVTYYKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2.C11H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15-17-16-19-17;1-2-3-4-5-6-7-8-12-9-11-10-13-11/h17H,2-16H2,1H3;11H,2-10H2,1H3.
What are the key properties of 2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane?
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane has a molecular weight of 456.75 g/mol, XLogP of 7.87, 24 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane is sourced from PubChem (CID 174518537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).