2-(6,6-dimethoxyhexyl)oxirane

C10H20O3 — CID 22101928

IUPAC2-(6,6-dimethoxyhexyl)oxirane
SMILESCOC(CCCCCC1CO1)OC
InChIInChI=1S/C10H20O3/c1-11-10(12-2)7-5-3-4-6-9-8-13-9/h9-10H,3-8H2,1-2H3
InChIKeyDKGZXKTVWBNBDN-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.95
Rot. Bonds8

About 2-(6,6-dimethoxyhexyl)oxirane

2-(6,6-dimethoxyhexyl)oxirane (PubChem CID 22101928) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(6,6-dimethoxyhexyl)oxirane.

Molecular Properties

Compound Name2-(6,6-dimethoxyhexyl)oxirane
PubChem CID22101928
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name2-(6,6-dimethoxyhexyl)oxirane
SMILESCOC(CCCCCC1CO1)OC
InChIInChI=1S/C10H20O3/c1-11-10(12-2)7-5-3-4-6-9-8-13-9/h9-10H,3-8H2,1-2H3
InChIKeyDKGZXKTVWBNBDN-UHFFFAOYSA-N
XLogP1.95
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6,6-dimethoxyhexyl)oxirane?
The IUPAC name of 2-(6,6-dimethoxyhexyl)oxirane (CID 22101928) is 2-(6,6-dimethoxyhexyl)oxirane.
What is the SMILES notation for 2-(6,6-dimethoxyhexyl)oxirane?
The canonical SMILES for 2-(6,6-dimethoxyhexyl)oxirane is COC(CCCCCC1CO1)OC.
What is the InChIKey of 2-(6,6-dimethoxyhexyl)oxirane?
The InChIKey is DKGZXKTVWBNBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-11-10(12-2)7-5-3-4-6-9-8-13-9/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-(6,6-dimethoxyhexyl)oxirane?
2-(6,6-dimethoxyhexyl)oxirane has a molecular weight of 188.27 g/mol, XLogP of 1.95, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6-dimethoxyhexyl)oxirane is sourced from PubChem (CID 22101928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).