2-[7-(oxiran-2-ylmethoxy)octan-2-yloxymethyl]oxirane

C14H26O4 — CID 101275367

IUPAC2-[7-(oxiran-2-ylmethoxy)octan-2-yloxymethyl]oxirane
SMILESCC(CCCCC(C)OCC1CO1)OCC1CO1
InChIInChI=1S/C14H26O4/c1-11(15-7-13-9-17-13)5-3-4-6-12(2)16-8-14-10-18-14/h11-14H,3-10H2,1-2H3
InChIKeyWRXZUVITWKKUQF-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.15
Rot. Bonds11

About 2-[7-(oxiran-2-ylmethoxy)octan-2-yloxymethyl]oxirane

2-[7-(oxiran-2-ylmethoxy)octan-2-yloxymethyl]oxirane (PubChem CID 101275367) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[7-(oxiran-2-ylmethoxy)octan-2-yloxymethyl]oxirane.

Molecular Properties

Compound Name2-[7-(oxiran-2-ylmethoxy)octan-2-yloxymethyl]oxirane
PubChem CID101275367
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name2-[7-(oxiran-2-ylmethoxy)octan-2-yloxymethyl]oxirane
SMILESCC(CCCCC(C)OCC1CO1)OCC1CO1
InChIInChI=1S/C14H26O4/c1-11(15-7-13-9-17-13)5-3-4-6-12(2)16-8-14-10-18-14/h11-14H,3-10H2,1-2H3
InChIKeyWRXZUVITWKKUQF-UHFFFAOYSA-N
XLogP2.15
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.15
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-(1-iodoethoxymethyl)oxirane
CID 89194519
2-(propan-2-yloxymethyl)oxirane
CID 159998967
dibutoxy-[3-(oxiran-2-ylmethoxy)butoxy]silane
CID 175173485
[2-[5-(oxiran-2-ylmethoxy)hexyl]oxan-2-yl]silane
CID 174783786
2-[5-(trimethoxymethyl)tridecan-2-yloxymethyl]oxirane
CID 151032004
dibutoxy-[3-(oxiran-2-ylmethoxy)butyl]silane
CID 173063926
2-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(oxiran-2-ylmethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxymethyl]oxirane
CID 177277165
2-(1-bromoethoxymethyl)oxirane
CID 20568723
1-(oxiran-2-ylmethoxy)ethanamine
CID 130292873
trimethoxy-[6-(oxiran-2-ylmethoxy)heptan-3-yl]silane
CID 89312307
2-(hex-4-en-2-yloxymethyl)oxirane
CID 89335517
2-[1-(oxiran-2-ylmethoxy)pentadecoxymethyl]oxirane
CID 176729435

Frequently Asked Questions

What is the IUPAC name of 2-[7-(oxiran-2-ylmethoxy)octan-2-yloxymethyl]oxirane?
The IUPAC name of 2-[7-(oxiran-2-ylmethoxy)octan-2-yloxymethyl]oxirane (CID 101275367) is 2-[7-(oxiran-2-ylmethoxy)octan-2-yloxymethyl]oxirane.
What is the SMILES notation for 2-[7-(oxiran-2-ylmethoxy)octan-2-yloxymethyl]oxirane?
The canonical SMILES for 2-[7-(oxiran-2-ylmethoxy)octan-2-yloxymethyl]oxirane is CC(CCCCC(C)OCC1CO1)OCC1CO1.
What is the InChIKey of 2-[7-(oxiran-2-ylmethoxy)octan-2-yloxymethyl]oxirane?
The InChIKey is WRXZUVITWKKUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-11(15-7-13-9-17-13)5-3-4-6-12(2)16-8-14-10-18-14/h11-14H,3-10H2,1-2H3.
What are the key properties of 2-[7-(oxiran-2-ylmethoxy)octan-2-yloxymethyl]oxirane?
2-[7-(oxiran-2-ylmethoxy)octan-2-yloxymethyl]oxirane has a molecular weight of 258.36 g/mol, XLogP of 2.15, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(oxiran-2-ylmethoxy)octan-2-yloxymethyl]oxirane is sourced from PubChem (CID 101275367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).