3-[5-(1-ethoxyethoxy)-3-methylpent-3-enyl]-2,2-dimethyloxirane

C14H26O3 — CID 71360636

IUPAC3-[5-(1-ethoxyethoxy)-3-methylpent-3-enyl]-2,2-dimethyloxirane
SMILESCCOC(C)OCC=C(C)CCC1OC1(C)C
InChIInChI=1S/C14H26O3/c1-6-15-12(3)16-10-9-11(2)7-8-13-14(4,5)17-13/h9,12-13H,6-8,10H2,1-5H3
InChIKeyUWQATDONXCINAS-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.29
Rot. Bonds8

About 3-[5-(1-ethoxyethoxy)-3-methylpent-3-enyl]-2,2-dimethyloxirane

3-[5-(1-ethoxyethoxy)-3-methylpent-3-enyl]-2,2-dimethyloxirane (PubChem CID 71360636) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-[5-(1-ethoxyethoxy)-3-methylpent-3-enyl]-2,2-dimethyloxirane.

Molecular Properties

Compound Name3-[5-(1-ethoxyethoxy)-3-methylpent-3-enyl]-2,2-dimethyloxirane
PubChem CID71360636
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name3-[5-(1-ethoxyethoxy)-3-methylpent-3-enyl]-2,2-dimethyloxirane
SMILESCCOC(C)OCC=C(C)CCC1OC1(C)C
InChIInChI=1S/C14H26O3/c1-6-15-12(3)16-10-9-11(2)7-8-13-14(4,5)17-13/h9,12-13H,6-8,10H2,1-5H3
InChIKeyUWQATDONXCINAS-UHFFFAOYSA-N
XLogP3.29
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-ethoxyethoxy)-3-methylpent-3-enyl]-2,2-dimethyloxirane?
The IUPAC name of 3-[5-(1-ethoxyethoxy)-3-methylpent-3-enyl]-2,2-dimethyloxirane (CID 71360636) is 3-[5-(1-ethoxyethoxy)-3-methylpent-3-enyl]-2,2-dimethyloxirane.
What is the SMILES notation for 3-[5-(1-ethoxyethoxy)-3-methylpent-3-enyl]-2,2-dimethyloxirane?
The canonical SMILES for 3-[5-(1-ethoxyethoxy)-3-methylpent-3-enyl]-2,2-dimethyloxirane is CCOC(C)OCC=C(C)CCC1OC1(C)C.
What is the InChIKey of 3-[5-(1-ethoxyethoxy)-3-methylpent-3-enyl]-2,2-dimethyloxirane?
The InChIKey is UWQATDONXCINAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-6-15-12(3)16-10-9-11(2)7-8-13-14(4,5)17-13/h9,12-13H,6-8,10H2,1-5H3.
What are the key properties of 3-[5-(1-ethoxyethoxy)-3-methylpent-3-enyl]-2,2-dimethyloxirane?
3-[5-(1-ethoxyethoxy)-3-methylpent-3-enyl]-2,2-dimethyloxirane has a molecular weight of 242.36 g/mol, XLogP of 3.29, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-ethoxyethoxy)-3-methylpent-3-enyl]-2,2-dimethyloxirane is sourced from PubChem (CID 71360636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).