2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane

C24H46O4 — CID 172718038

IUPAC2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
SMILESC(CCCCCCCCCOCC1CO1)CCCCCCCCOCC1CO1
InChIInChI=1S/C24H46O4/c1(3-5-7-9-11-13-15-17-25-19-23-21-27-23)2-4-6-8-10-12-14-16-18-26-20-24-22-28-24/h23-24H,1-22H2
InChIKeyGCYWPGZMMVBQDM-UHFFFAOYSA-N
MW398.63 g/mol
LogP6.06
Rot. Bonds23

About 2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane

2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane (PubChem CID 172718038) has the molecular formula C24H46O4 and a molecular weight of 398.63 g/mol. Its IUPAC name is 2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane.

Molecular Properties

Compound Name2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
PubChem CID172718038
Molecular FormulaC24H46O4
Molecular Weight398.63 g/mol
Exact Mass398.34
IUPAC Name2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
SMILESC(CCCCCCCCCOCC1CO1)CCCCCCCCOCC1CO1
InChIInChI=1S/C24H46O4/c1(3-5-7-9-11-13-15-17-25-19-23-21-27-23)2-4-6-8-10-12-14-16-18-26-20-24-22-28-24/h23-24H,1-22H2
InChIKeyGCYWPGZMMVBQDM-UHFFFAOYSA-N
XLogP6.06
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.63
LogP ≤ 56.06
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-[4-[4-[4-[4-[4-[4-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxymethyl]oxirane
CID 130476685
2-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668
2-[12-(oxiran-2-yl)dodecoxymethyl]oxirane
CID 141065543
10-(oxiran-2-ylmethoxy)decan-1-ol
CID 141116749
2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
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-(4-methoxybutoxymethyl)oxirane
CID 58151519
2-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxymethyl]oxirane
CID 91036446
2-(pentoxymethyl)oxirane
CID 160890113

Frequently Asked Questions

What is the IUPAC name of 2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane?
The IUPAC name of 2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane (CID 172718038) is 2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane.
What is the SMILES notation for 2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane?
The canonical SMILES for 2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane is C(CCCCCCCCCOCC1CO1)CCCCCCCCOCC1CO1.
What is the InChIKey of 2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane?
The InChIKey is GCYWPGZMMVBQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O4/c1(3-5-7-9-11-13-15-17-25-19-23-21-27-23)2-4-6-8-10-12-14-16-18-26-20-24-22-28-24/h23-24H,1-22H2.
What are the key properties of 2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane?
2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane has a molecular weight of 398.63 g/mol, XLogP of 6.06, 23 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane is sourced from PubChem (CID 172718038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).