hexanedial;2-(oxiran-2-ylmethoxymethyl)oxirane

C12H20O5 — CID 166784173

IUPAChexanedial;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.O=CCCCCC=O
InChIInChI=1S/C6H10O3.C6H10O2/c1(5-3-8-5)7-2-6-4-9-6;7-5-3-1-2-4-6-8/h5-6H,1-4H2;5-6H,1-4H2
InChIKeyBBSVTVSZDCLBGX-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.75
Rot. Bonds9

About hexanedial;2-(oxiran-2-ylmethoxymethyl)oxirane

hexanedial;2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 166784173) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is hexanedial;2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Namehexanedial;2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID166784173
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Namehexanedial;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.O=CCCCCC=O
InChIInChI=1S/C6H10O3.C6H10O2/c1(5-3-8-5)7-2-6-4-9-6;7-5-3-1-2-4-6-8/h5-6H,1-4H2;5-6H,1-4H2
InChIKeyBBSVTVSZDCLBGX-UHFFFAOYSA-N
XLogP0.75
TPSA68.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-(oxiran-2-ylmethoxy)butanal
CID 130035939
2-(oxiran-2-ylmethoxymethyl)oxirane;oxophosphane
CID 22290133
methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
2-(oxiran-2-ylmethoxymethyl)oxirane;sulfur trioxide
CID 87769776
2-(oxiran-2-ylmethoxymethyl)oxirane diazide
CID 175700488
ethene;2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene
CID 23018396
hexane-1,6-diol;bis(2-(oxiran-2-ylmethoxymethyl)oxirane)
CID 174983499
2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane
CID 87058991
(Z)-but-2-ene-1,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87871261
hexane-1,6-diamine;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 175215443
2-methylbut-2-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87813388
ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861

Frequently Asked Questions

What is the IUPAC name of hexanedial;2-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of hexanedial;2-(oxiran-2-ylmethoxymethyl)oxirane (CID 166784173) is hexanedial;2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for hexanedial;2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for hexanedial;2-(oxiran-2-ylmethoxymethyl)oxirane is C(OCC1CO1)C1CO1.O=CCCCCC=O.
What is the InChIKey of hexanedial;2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is BBSVTVSZDCLBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C6H10O2/c1(5-3-8-5)7-2-6-4-9-6;7-5-3-1-2-4-6-8/h5-6H,1-4H2;5-6H,1-4H2.
What are the key properties of hexanedial;2-(oxiran-2-ylmethoxymethyl)oxirane?
hexanedial;2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 244.29 g/mol, XLogP of 0.75, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hexanedial;2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 166784173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).