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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Related Compounds

5-(3,3-Dimethyloxiranyl)-3-methylpent-2-en-1-yl acetate
CID 5951297
2-Penten-1-ol, 5-(3,3-dimethyl-2-oxiranyl)-3-methyl-, 1-acetate
CID 99023
[(2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3,7-dimethylnona-2,6-dienyl] methyl carbonate
CID 15677791
[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl] ethyl carbonate
CID 11287965
4,8,8-Trimethyl-7,9-dioxabicyclo[4.2.1]non-4-ene
CID 12971958
2-(Hept-2-en-3-yl)-3-[(prop-2-en-1-yl)oxy]oxirane
CID 133064835
2-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]oxane
CID 6091408
[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enyl] acetate
CID 12701271
[(Z)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl] acetate
CID 10943796
2-[(2Z,6E)-9-(3,3-dimethyloxiran-2-yl)-3,7-dimethylnona-2,6-dienoxy]oxane
CID 21242280
3-[(3E,7E)-9-ethoxy-3,7-dimethylnona-3,7-dienyl]-2,2-dimethyloxirane
CID 21510452
5-[1'-Methoxy-1'-methyl-ethoxy]-2,6-dimethyl-6-nonene
CID 53705091

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).