8-(oxiran-2-ylmethoxy)octane-2,5-dione

C11H18O4 — CID 19885320

IUPAC8-(oxiran-2-ylmethoxy)octane-2,5-dione
SMILESCC(=O)CCC(=O)CCCOCC1CO1
InChIInChI=1S/C11H18O4/c1-9(12)4-5-10(13)3-2-6-14-7-11-8-15-11/h11H,2-8H2,1H3
InChIKeyNSZWETHTNJIICP-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.12
Rot. Bonds9

About 8-(oxiran-2-ylmethoxy)octane-2,5-dione

8-(oxiran-2-ylmethoxy)octane-2,5-dione (PubChem CID 19885320) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 8-(oxiran-2-ylmethoxy)octane-2,5-dione.

Molecular Properties

Compound Name8-(oxiran-2-ylmethoxy)octane-2,5-dione
PubChem CID19885320
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name8-(oxiran-2-ylmethoxy)octane-2,5-dione
SMILESCC(=O)CCC(=O)CCCOCC1CO1
InChIInChI=1S/C11H18O4/c1-9(12)4-5-10(13)3-2-6-14-7-11-8-15-11/h11H,2-8H2,1H3
InChIKeyNSZWETHTNJIICP-UHFFFAOYSA-N
XLogP1.12
TPSA55.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.12
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

[acetyloxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] acetate
CID 22292670
butan-2-one;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174775957
oxiran-2-ylmethyl 3-(oxiran-2-ylmethoxy)propanoate
CID 6454894
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-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038
2-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668
2-methylbut-2-enoic acid;2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxymethyl]oxirane
CID 88716952
2-(4-methoxybutoxymethyl)oxirane
CID 58151519
(2R)-2-(3-methoxypropoxymethyl)oxirane
CID 130493223
6-(oxolan-2-ylmethoxy)hexan-3-one
CID 106801896
4-(oxiran-2-ylmethoxy)butyl 2-methylprop-2-enoate;3-(oxiran-2-ylmethoxy)propyl 2-methylprop-2-enoate
CID 158042491
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

Frequently Asked Questions

What is the IUPAC name of 8-(oxiran-2-ylmethoxy)octane-2,5-dione?
The IUPAC name of 8-(oxiran-2-ylmethoxy)octane-2,5-dione (CID 19885320) is 8-(oxiran-2-ylmethoxy)octane-2,5-dione.
What is the SMILES notation for 8-(oxiran-2-ylmethoxy)octane-2,5-dione?
The canonical SMILES for 8-(oxiran-2-ylmethoxy)octane-2,5-dione is CC(=O)CCC(=O)CCCOCC1CO1.
What is the InChIKey of 8-(oxiran-2-ylmethoxy)octane-2,5-dione?
The InChIKey is NSZWETHTNJIICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-9(12)4-5-10(13)3-2-6-14-7-11-8-15-11/h11H,2-8H2,1H3.
What are the key properties of 8-(oxiran-2-ylmethoxy)octane-2,5-dione?
8-(oxiran-2-ylmethoxy)octane-2,5-dione has a molecular weight of 214.26 g/mol, XLogP of 1.12, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(oxiran-2-ylmethoxy)octane-2,5-dione is sourced from PubChem (CID 19885320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).