2-(1-ethylcyclohexyl)oxirane

C10H18O — CID 123342975

IUPAC2-(1-ethylcyclohexyl)oxirane
SMILESCCC1(C2CO2)CCCCC1
InChIInChI=1S/C10H18O/c1-2-10(9-8-11-9)6-4-3-5-7-10/h9H,2-8H2,1H3
InChIKeyYTOLBRSYXUAHKA-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.75
Rot. Bonds2

About 2-(1-ethylcyclohexyl)oxirane

2-(1-ethylcyclohexyl)oxirane (PubChem CID 123342975) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2-(1-ethylcyclohexyl)oxirane.

Molecular Properties

Compound Name2-(1-ethylcyclohexyl)oxirane
PubChem CID123342975
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2-(1-ethylcyclohexyl)oxirane
SMILESCCC1(C2CO2)CCCCC1
InChIInChI=1S/C10H18O/c1-2-10(9-8-11-9)6-4-3-5-7-10/h9H,2-8H2,1H3
InChIKeyYTOLBRSYXUAHKA-UHFFFAOYSA-N
XLogP2.75
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.75
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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Related Compounds

2-(1-ethylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 173085788
1-ethyl-9-oxabicyclo[6.1.0]nonane
CID 19373802
1-ethyl-1-(4-propylcyclohexyl)cyclohexane
CID 57009275
2-[(1-ethylcyclohexyl)oxymethyl]oxirane
CID 19817909
1-(1-ethylcyclopentyl)-2-methylcyclohexane
CID 173420432
2-(1-ethylcyclohexyl)-1,4-dimethylcyclohexane
CID 174725274
(4aR,8aS)-4a-ethyl-2,3,4,5,6,7,8,8a-octahydropyrano[2,3-b]pyridine
CID 177422774
2-(1-methylcyclobutyl)oxirane
CID 178200623
2-(1-ethenylcyclohexyl)oxirane
CID 12634646
(2R,4S)-2-(1-ethylcyclopropyl)oxolane-3,4-diol
CID 163633653
5-(1-ethylcyclopentyl)-6-fluorocyclohexa-1,3-diene
CID 129054109
3-cyclopropyl-3-ethylpiperidine
CID 64919354

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylcyclohexyl)oxirane?
The IUPAC name of 2-(1-ethylcyclohexyl)oxirane (CID 123342975) is 2-(1-ethylcyclohexyl)oxirane.
What is the SMILES notation for 2-(1-ethylcyclohexyl)oxirane?
The canonical SMILES for 2-(1-ethylcyclohexyl)oxirane is CCC1(C2CO2)CCCCC1.
What is the InChIKey of 2-(1-ethylcyclohexyl)oxirane?
The InChIKey is YTOLBRSYXUAHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-2-10(9-8-11-9)6-4-3-5-7-10/h9H,2-8H2,1H3.
What are the key properties of 2-(1-ethylcyclohexyl)oxirane?
2-(1-ethylcyclohexyl)oxirane has a molecular weight of 154.25 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylcyclohexyl)oxirane is sourced from PubChem (CID 123342975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).