2-(3-ethylcyclohexa-2,4-dien-1-yl)oxirane

C10H14O — CID 123208930

IUPAC2-(3-ethylcyclohexa-2,4-dien-1-yl)oxirane
SMILESCCC1=CC(C2CO2)CC=C1
InChIInChI=1S/C10H14O/c1-2-8-4-3-5-9(6-8)10-7-11-10/h3-4,6,9-10H,2,5,7H2,1H3
InChIKeyPWHQRHAAGALAMM-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.30
Rot. Bonds2

About 2-(3-ethylcyclohexa-2,4-dien-1-yl)oxirane

2-(3-ethylcyclohexa-2,4-dien-1-yl)oxirane (PubChem CID 123208930) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-(3-ethylcyclohexa-2,4-dien-1-yl)oxirane.

Molecular Properties

Compound Name2-(3-ethylcyclohexa-2,4-dien-1-yl)oxirane
PubChem CID123208930
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name2-(3-ethylcyclohexa-2,4-dien-1-yl)oxirane
SMILESCCC1=CC(C2CO2)CC=C1
InChIInChI=1S/C10H14O/c1-2-8-4-3-5-9(6-8)10-7-11-10/h3-4,6,9-10H,2,5,7H2,1H3
InChIKeyPWHQRHAAGALAMM-UHFFFAOYSA-N
XLogP2.30
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(3-ethylcyclohexa-2,4-dien-1-yl)oxirane?
The IUPAC name of 2-(3-ethylcyclohexa-2,4-dien-1-yl)oxirane (CID 123208930) is 2-(3-ethylcyclohexa-2,4-dien-1-yl)oxirane.
What is the SMILES notation for 2-(3-ethylcyclohexa-2,4-dien-1-yl)oxirane?
The canonical SMILES for 2-(3-ethylcyclohexa-2,4-dien-1-yl)oxirane is CCC1=CC(C2CO2)CC=C1.
What is the InChIKey of 2-(3-ethylcyclohexa-2,4-dien-1-yl)oxirane?
The InChIKey is PWHQRHAAGALAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-2-8-4-3-5-9(6-8)10-7-11-10/h3-4,6,9-10H,2,5,7H2,1H3.
What are the key properties of 2-(3-ethylcyclohexa-2,4-dien-1-yl)oxirane?
2-(3-ethylcyclohexa-2,4-dien-1-yl)oxirane has a molecular weight of 150.22 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylcyclohexa-2,4-dien-1-yl)oxirane is sourced from PubChem (CID 123208930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).