ethenylcyclohexane;2-(oxiran-2-ylmethoxymethyl)oxirane

C14H24O3 — CID 87755020

IUPACethenylcyclohexane;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.C=CC1CCCCC1
InChIInChI=1S/C8H14.C6H10O3/c1-2-8-6-4-3-5-7-8;1(5-3-8-5)7-2-6-4-9-6/h2,8H,1,3-7H2;5-6H,1-4H2
InChIKeyZBAIJFYYUFCKAT-UHFFFAOYSA-N
MW240.34 g/mol
LogP2.55
Rot. Bonds5

About ethenylcyclohexane;2-(oxiran-2-ylmethoxymethyl)oxirane

ethenylcyclohexane;2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 87755020) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is ethenylcyclohexane;2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Nameethenylcyclohexane;2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID87755020
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Nameethenylcyclohexane;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.C=CC1CCCCC1
InChIInChI=1S/C8H14.C6H10O3/c1-2-8-6-4-3-5-7-8;1(5-3-8-5)7-2-6-4-9-6/h2,8H,1,3-7H2;5-6H,1-4H2
InChIKeyZBAIJFYYUFCKAT-UHFFFAOYSA-N
XLogP2.55
TPSA34.29 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 ≤ 52.55
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 ethenylcyclohexane;2-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of ethenylcyclohexane;2-(oxiran-2-ylmethoxymethyl)oxirane (CID 87755020) is ethenylcyclohexane;2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for ethenylcyclohexane;2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for ethenylcyclohexane;2-(oxiran-2-ylmethoxymethyl)oxirane is C(OCC1CO1)C1CO1.C=CC1CCCCC1.
What is the InChIKey of ethenylcyclohexane;2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is ZBAIJFYYUFCKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14.C6H10O3/c1-2-8-6-4-3-5-7-8;1(5-3-8-5)7-2-6-4-9-6/h2,8H,1,3-7H2;5-6H,1-4H2.
What are the key properties of ethenylcyclohexane;2-(oxiran-2-ylmethoxymethyl)oxirane?
ethenylcyclohexane;2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 240.34 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenylcyclohexane;2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 87755020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).