2-[cyclohex-2-en-1-yl-[cyclohex-2-en-1-yl(oxiran-2-yl)methoxy]methyl]oxirane

C18H26O3 — CID 22561159

IUPAC2-[cyclohex-2-en-1-yl-[cyclohex-2-en-1-yl(oxiran-2-yl)methoxy]methyl]oxirane
SMILESC1=CC(C(OC(C2C=CCCC2)C2CO2)C2CO2)CCC1
InChIInChI=1S/C18H26O3/c1-3-7-13(8-4-1)17(15-11-19-15)21-18(16-12-20-16)14-9-5-2-6-10-14/h3,5,7,9,13-18H,1-2,4,6,8,10-12H2
InChIKeyJFDKHYIKYHSFKB-UHFFFAOYSA-N
MW290.40 g/mol
LogP3.25
Rot. Bonds6

About 2-[cyclohex-2-en-1-yl-[cyclohex-2-en-1-yl(oxiran-2-yl)methoxy]methyl]oxirane

2-[cyclohex-2-en-1-yl-[cyclohex-2-en-1-yl(oxiran-2-yl)methoxy]methyl]oxirane (PubChem CID 22561159) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 2-[cyclohex-2-en-1-yl-[cyclohex-2-en-1-yl(oxiran-2-yl)methoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[cyclohex-2-en-1-yl-[cyclohex-2-en-1-yl(oxiran-2-yl)methoxy]methyl]oxirane
PubChem CID22561159
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name2-[cyclohex-2-en-1-yl-[cyclohex-2-en-1-yl(oxiran-2-yl)methoxy]methyl]oxirane
SMILESC1=CC(C(OC(C2C=CCCC2)C2CO2)C2CO2)CCC1
InChIInChI=1S/C18H26O3/c1-3-7-13(8-4-1)17(15-11-19-15)21-18(16-12-20-16)14-9-5-2-6-10-14/h3,5,7,9,13-18H,1-2,4,6,8,10-12H2
InChIKeyJFDKHYIKYHSFKB-UHFFFAOYSA-N
XLogP3.25
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-[cyclohex-2-en-1-yl-[cyclohex-2-en-1-yl(oxiran-2-yl)methoxy]methyl]oxirane?
The IUPAC name of 2-[cyclohex-2-en-1-yl-[cyclohex-2-en-1-yl(oxiran-2-yl)methoxy]methyl]oxirane (CID 22561159) is 2-[cyclohex-2-en-1-yl-[cyclohex-2-en-1-yl(oxiran-2-yl)methoxy]methyl]oxirane.
What is the SMILES notation for 2-[cyclohex-2-en-1-yl-[cyclohex-2-en-1-yl(oxiran-2-yl)methoxy]methyl]oxirane?
The canonical SMILES for 2-[cyclohex-2-en-1-yl-[cyclohex-2-en-1-yl(oxiran-2-yl)methoxy]methyl]oxirane is C1=CC(C(OC(C2C=CCCC2)C2CO2)C2CO2)CCC1.
What is the InChIKey of 2-[cyclohex-2-en-1-yl-[cyclohex-2-en-1-yl(oxiran-2-yl)methoxy]methyl]oxirane?
The InChIKey is JFDKHYIKYHSFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-3-7-13(8-4-1)17(15-11-19-15)21-18(16-12-20-16)14-9-5-2-6-10-14/h3,5,7,9,13-18H,1-2,4,6,8,10-12H2.
What are the key properties of 2-[cyclohex-2-en-1-yl-[cyclohex-2-en-1-yl(oxiran-2-yl)methoxy]methyl]oxirane?
2-[cyclohex-2-en-1-yl-[cyclohex-2-en-1-yl(oxiran-2-yl)methoxy]methyl]oxirane has a molecular weight of 290.40 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohex-2-en-1-yl-[cyclohex-2-en-1-yl(oxiran-2-yl)methoxy]methyl]oxirane is sourced from PubChem (CID 22561159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).