2-ethyl-5-[(1-methoxycyclopent-2-en-1-yl)oxymethyl]oxolane

C13H22O3 — CID 155615847

IUPAC2-ethyl-5-[(1-methoxycyclopent-2-en-1-yl)oxymethyl]oxolane
SMILESCCC1CCC(COC2(OC)C=CCC2)O1
InChIInChI=1S/C13H22O3/c1-3-11-6-7-12(16-11)10-15-13(14-2)8-4-5-9-13/h4,8,11-12H,3,5-7,9-10H2,1-2H3
InChIKeyYZCITMAEXARPDO-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.65
Rot. Bonds5

About 2-ethyl-5-[(1-methoxycyclopent-2-en-1-yl)oxymethyl]oxolane

2-ethyl-5-[(1-methoxycyclopent-2-en-1-yl)oxymethyl]oxolane (PubChem CID 155615847) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-ethyl-5-[(1-methoxycyclopent-2-en-1-yl)oxymethyl]oxolane.

Molecular Properties

Compound Name2-ethyl-5-[(1-methoxycyclopent-2-en-1-yl)oxymethyl]oxolane
PubChem CID155615847
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name2-ethyl-5-[(1-methoxycyclopent-2-en-1-yl)oxymethyl]oxolane
SMILESCCC1CCC(COC2(OC)C=CCC2)O1
InChIInChI=1S/C13H22O3/c1-3-11-6-7-12(16-11)10-15-13(14-2)8-4-5-9-13/h4,8,11-12H,3,5-7,9-10H2,1-2H3
InChIKeyYZCITMAEXARPDO-UHFFFAOYSA-N
XLogP2.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.65
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'}

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Related Compounds

(2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 13297721
(z,z)-6,9-Heneicosadien-11-one ethylene ketal
CID 129866832
(2S,5R)-2-[(E,1S)-1-(methoxymethoxy)but-2-enyl]-5-[(2R,5S)-5-[(E,1S)-1-(methoxymethoxy)but-2-enyl]oxolan-2-yl]oxolane
CID 10619170
[(E)-7-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-methoxycarbonyloxyhept-2-en-4-yl] methyl carbonate
CID 13762314
2-(Deca-1,4-dien-1-YL)-2-decyl-1,3-dioxolane
CID 71422196
Oct-2-en-4-one ethyleneketal
CID 129813424
[(8Z,12R)-1,6-dioxaspiro[4.7]dodec-8-en-12-yl] acetate
CID 134858630
(6Z)-1,4-dioxaspiro[4.7]dodec-6-ene
CID 12592638
(6Z)-1,4-dioxaspiro[4.14]nonadec-6-ene
CID 142633658
(3aE)-2,2-dimethyl-5,6,7,8,9,9a-hexahydrocycloocta[d][1,3]dioxole
CID 155250056
2-Ethyl-5-[(2-ethyl-1-methoxycyclopent-2-en-1-yl)oxymethyl]oxolane
CID 155615835
2-Ethyl-5-[(1-methoxy-2-methylcyclopent-2-en-1-yl)oxymethyl]oxolane
CID 155615854

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(1-methoxycyclopent-2-en-1-yl)oxymethyl]oxolane?
The IUPAC name of 2-ethyl-5-[(1-methoxycyclopent-2-en-1-yl)oxymethyl]oxolane (CID 155615847) is 2-ethyl-5-[(1-methoxycyclopent-2-en-1-yl)oxymethyl]oxolane.
What is the SMILES notation for 2-ethyl-5-[(1-methoxycyclopent-2-en-1-yl)oxymethyl]oxolane?
The canonical SMILES for 2-ethyl-5-[(1-methoxycyclopent-2-en-1-yl)oxymethyl]oxolane is CCC1CCC(COC2(OC)C=CCC2)O1.
What is the InChIKey of 2-ethyl-5-[(1-methoxycyclopent-2-en-1-yl)oxymethyl]oxolane?
The InChIKey is YZCITMAEXARPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-3-11-6-7-12(16-11)10-15-13(14-2)8-4-5-9-13/h4,8,11-12H,3,5-7,9-10H2,1-2H3.
What are the key properties of 2-ethyl-5-[(1-methoxycyclopent-2-en-1-yl)oxymethyl]oxolane?
2-ethyl-5-[(1-methoxycyclopent-2-en-1-yl)oxymethyl]oxolane has a molecular weight of 226.32 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(1-methoxycyclopent-2-en-1-yl)oxymethyl]oxolane is sourced from PubChem (CID 155615847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).