2-[1-(cyclohexen-1-yloxy)ethyl]oxirane

C10H16O2 — CID 87370861

IUPAC2-[1-(cyclohexen-1-yloxy)ethyl]oxirane
SMILESCC(OC1=CCCCC1)C1CO1
InChIInChI=1S/C10H16O2/c1-8(10-7-11-10)12-9-5-3-2-4-6-9/h5,8,10H,2-4,6-7H2,1H3
InChIKeyVPQIERMVDPTXIP-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.25
Rot. Bonds3

About 2-[1-(cyclohexen-1-yloxy)ethyl]oxirane

2-[1-(cyclohexen-1-yloxy)ethyl]oxirane (PubChem CID 87370861) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-[1-(cyclohexen-1-yloxy)ethyl]oxirane.

Molecular Properties

Compound Name2-[1-(cyclohexen-1-yloxy)ethyl]oxirane
PubChem CID87370861
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-[1-(cyclohexen-1-yloxy)ethyl]oxirane
SMILESCC(OC1=CCCCC1)C1CO1
InChIInChI=1S/C10H16O2/c1-8(10-7-11-10)12-9-5-3-2-4-6-9/h5,8,10H,2-4,6-7H2,1H3
InChIKeyVPQIERMVDPTXIP-UHFFFAOYSA-N
XLogP2.25
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexen-1-yloxy)ethyl]oxirane?
The IUPAC name of 2-[1-(cyclohexen-1-yloxy)ethyl]oxirane (CID 87370861) is 2-[1-(cyclohexen-1-yloxy)ethyl]oxirane.
What is the SMILES notation for 2-[1-(cyclohexen-1-yloxy)ethyl]oxirane?
The canonical SMILES for 2-[1-(cyclohexen-1-yloxy)ethyl]oxirane is CC(OC1=CCCCC1)C1CO1.
What is the InChIKey of 2-[1-(cyclohexen-1-yloxy)ethyl]oxirane?
The InChIKey is VPQIERMVDPTXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8(10-7-11-10)12-9-5-3-2-4-6-9/h5,8,10H,2-4,6-7H2,1H3.
What are the key properties of 2-[1-(cyclohexen-1-yloxy)ethyl]oxirane?
2-[1-(cyclohexen-1-yloxy)ethyl]oxirane has a molecular weight of 168.24 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexen-1-yloxy)ethyl]oxirane is sourced from PubChem (CID 87370861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).