2-[[4-(prop-2-enoxymethyl)cyclohexyl]methoxymethyl]oxirane

C14H24O3 — CID 90340130

IUPAC2-[[4-(prop-2-enoxymethyl)cyclohexyl]methoxymethyl]oxirane
SMILESC=CCOCC1CCC(COCC2CO2)CC1
InChIInChI=1S/C14H24O3/c1-2-7-15-8-12-3-5-13(6-4-12)9-16-10-14-11-17-14/h2,12-14H,1,3-11H2
InChIKeyZNJLHZNVQYVHAU-UHFFFAOYSA-N
MW240.34 g/mol
LogP2.41
Rot. Bonds8

About 2-[[4-(prop-2-enoxymethyl)cyclohexyl]methoxymethyl]oxirane

2-[[4-(prop-2-enoxymethyl)cyclohexyl]methoxymethyl]oxirane (PubChem CID 90340130) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 2-[[4-(prop-2-enoxymethyl)cyclohexyl]methoxymethyl]oxirane.

Molecular Properties

Compound Name2-[[4-(prop-2-enoxymethyl)cyclohexyl]methoxymethyl]oxirane
PubChem CID90340130
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name2-[[4-(prop-2-enoxymethyl)cyclohexyl]methoxymethyl]oxirane
SMILESC=CCOCC1CCC(COCC2CO2)CC1
InChIInChI=1S/C14H24O3/c1-2-7-15-8-12-3-5-13(6-4-12)9-16-10-14-11-17-14/h2,12-14H,1,3-11H2
InChIKeyZNJLHZNVQYVHAU-UHFFFAOYSA-N
XLogP2.41
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 2-[[4-(prop-2-enoxymethyl)cyclohexyl]methoxymethyl]oxirane?
The IUPAC name of 2-[[4-(prop-2-enoxymethyl)cyclohexyl]methoxymethyl]oxirane (CID 90340130) is 2-[[4-(prop-2-enoxymethyl)cyclohexyl]methoxymethyl]oxirane.
What is the SMILES notation for 2-[[4-(prop-2-enoxymethyl)cyclohexyl]methoxymethyl]oxirane?
The canonical SMILES for 2-[[4-(prop-2-enoxymethyl)cyclohexyl]methoxymethyl]oxirane is C=CCOCC1CCC(COCC2CO2)CC1.
What is the InChIKey of 2-[[4-(prop-2-enoxymethyl)cyclohexyl]methoxymethyl]oxirane?
The InChIKey is ZNJLHZNVQYVHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-2-7-15-8-12-3-5-13(6-4-12)9-16-10-14-11-17-14/h2,12-14H,1,3-11H2.
What are the key properties of 2-[[4-(prop-2-enoxymethyl)cyclohexyl]methoxymethyl]oxirane?
2-[[4-(prop-2-enoxymethyl)cyclohexyl]methoxymethyl]oxirane has a molecular weight of 240.34 g/mol, XLogP of 2.41, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(prop-2-enoxymethyl)cyclohexyl]methoxymethyl]oxirane is sourced from PubChem (CID 90340130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).