2-[2-(cyclohexylmethoxy)prop-2-enoxymethyl]oxirane

C13H22O3 — CID 118870811

IUPAC2-[2-(cyclohexylmethoxy)prop-2-enoxymethyl]oxirane
SMILESC=C(COCC1CO1)OCC1CCCCC1
InChIInChI=1S/C13H22O3/c1-11(7-14-9-13-10-16-13)15-8-12-5-3-2-4-6-12/h12-13H,1-10H2
InChIKeyJZQVVJUCXRCSTF-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.51
Rot. Bonds7

About 2-[2-(cyclohexylmethoxy)prop-2-enoxymethyl]oxirane

2-[2-(cyclohexylmethoxy)prop-2-enoxymethyl]oxirane (PubChem CID 118870811) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[2-(cyclohexylmethoxy)prop-2-enoxymethyl]oxirane.

Molecular Properties

Compound Name2-[2-(cyclohexylmethoxy)prop-2-enoxymethyl]oxirane
PubChem CID118870811
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name2-[2-(cyclohexylmethoxy)prop-2-enoxymethyl]oxirane
SMILESC=C(COCC1CO1)OCC1CCCCC1
InChIInChI=1S/C13H22O3/c1-11(7-14-9-13-10-16-13)15-8-12-5-3-2-4-6-12/h12-13H,1-10H2
InChIKeyJZQVVJUCXRCSTF-UHFFFAOYSA-N
XLogP2.51
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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-[2-(cyclohexylmethoxy)prop-2-enoxymethyl]oxirane?
The IUPAC name of 2-[2-(cyclohexylmethoxy)prop-2-enoxymethyl]oxirane (CID 118870811) is 2-[2-(cyclohexylmethoxy)prop-2-enoxymethyl]oxirane.
What is the SMILES notation for 2-[2-(cyclohexylmethoxy)prop-2-enoxymethyl]oxirane?
The canonical SMILES for 2-[2-(cyclohexylmethoxy)prop-2-enoxymethyl]oxirane is C=C(COCC1CO1)OCC1CCCCC1.
What is the InChIKey of 2-[2-(cyclohexylmethoxy)prop-2-enoxymethyl]oxirane?
The InChIKey is JZQVVJUCXRCSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-11(7-14-9-13-10-16-13)15-8-12-5-3-2-4-6-12/h12-13H,1-10H2.
What are the key properties of 2-[2-(cyclohexylmethoxy)prop-2-enoxymethyl]oxirane?
2-[2-(cyclohexylmethoxy)prop-2-enoxymethyl]oxirane has a molecular weight of 226.32 g/mol, XLogP of 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexylmethoxy)prop-2-enoxymethyl]oxirane is sourced from PubChem (CID 118870811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).