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

C14H24O3 — CID 155615854

IUPAC2-ethyl-5-[(1-methoxy-2-methylcyclopent-2-en-1-yl)oxymethyl]oxolane
SMILESCCC1CCC(COC2(OC)CCC=C2C)O1
InChIInChI=1S/C14H24O3/c1-4-12-7-8-13(17-12)10-16-14(15-3)9-5-6-11(14)2/h6,12-13H,4-5,7-10H2,1-3H3
InChIKeyUIIKBVZFGNDUFJ-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.04
Rot. Bonds5

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

2-ethyl-5-[(1-methoxy-2-methylcyclopent-2-en-1-yl)oxymethyl]oxolane (PubChem CID 155615854) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 2-ethyl-5-[(1-methoxy-2-methylcyclopent-2-en-1-yl)oxymethyl]oxolane.

Molecular Properties

Compound Name2-ethyl-5-[(1-methoxy-2-methylcyclopent-2-en-1-yl)oxymethyl]oxolane
PubChem CID155615854
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name2-ethyl-5-[(1-methoxy-2-methylcyclopent-2-en-1-yl)oxymethyl]oxolane
SMILESCCC1CCC(COC2(OC)CCC=C2C)O1
InChIInChI=1S/C14H24O3/c1-4-12-7-8-13(17-12)10-16-14(15-3)9-5-6-11(14)2/h6,12-13H,4-5,7-10H2,1-3H3
InChIKeyUIIKBVZFGNDUFJ-UHFFFAOYSA-N
XLogP3.04
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.04
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

7-Methyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 11137430
[(E)-7-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-methoxycarbonyloxyhept-2-en-4-yl] methyl carbonate
CID 13762314
5-[(2R,5S)-5-ethyloxolan-2-yl]-3,3-dimethyl-2H-furan
CID 134965937
(6-Methyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl) prop-2-enyl carbonate
CID 135019160
1-Acetylcyclohexene ethyleneacetal
CID 10678693
8-Methyl-1,4-dioxaspiro[4.4]non-8-ene
CID 12933125
2-(2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethanol
CID 67841871
3-(8-Methyl-1,4-dioxaspiro[4.4]non-8-en-9-yl)propan-1-ol
CID 86297049
9-But-3-enyl-8-methyl-1,4-dioxaspiro[4.4]non-8-ene
CID 90444316
8,9-Bis(but-2-en-2-yl)-1,4-dioxaspiro[4.4]non-8-ene
CID 123966502
Ethane;7-methyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 141789084
2,2,7-Trimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole
CID 141809587

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(1-methoxy-2-methylcyclopent-2-en-1-yl)oxymethyl]oxolane?
The IUPAC name of 2-ethyl-5-[(1-methoxy-2-methylcyclopent-2-en-1-yl)oxymethyl]oxolane (CID 155615854) is 2-ethyl-5-[(1-methoxy-2-methylcyclopent-2-en-1-yl)oxymethyl]oxolane.
What is the SMILES notation for 2-ethyl-5-[(1-methoxy-2-methylcyclopent-2-en-1-yl)oxymethyl]oxolane?
The canonical SMILES for 2-ethyl-5-[(1-methoxy-2-methylcyclopent-2-en-1-yl)oxymethyl]oxolane is CCC1CCC(COC2(OC)CCC=C2C)O1.
What is the InChIKey of 2-ethyl-5-[(1-methoxy-2-methylcyclopent-2-en-1-yl)oxymethyl]oxolane?
The InChIKey is UIIKBVZFGNDUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-4-12-7-8-13(17-12)10-16-14(15-3)9-5-6-11(14)2/h6,12-13H,4-5,7-10H2,1-3H3.
What are the key properties of 2-ethyl-5-[(1-methoxy-2-methylcyclopent-2-en-1-yl)oxymethyl]oxolane?
2-ethyl-5-[(1-methoxy-2-methylcyclopent-2-en-1-yl)oxymethyl]oxolane has a molecular weight of 240.34 g/mol, XLogP of 3.04, 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-methoxy-2-methylcyclopent-2-en-1-yl)oxymethyl]oxolane is sourced from PubChem (CID 155615854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).