2-[2-(4-methylcyclohexyl)ethyl]oxirane

C11H20O — CID 58971302

IUPAC2-[2-(4-methylcyclohexyl)ethyl]oxirane
SMILESCC1CCC(CCC2CO2)CC1
InChIInChI=1S/C11H20O/c1-9-2-4-10(5-3-9)6-7-11-8-12-11/h9-11H,2-8H2,1H3
InChIKeyDFGYAPCGSCJDMX-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.99
Rot. Bonds3

About 2-[2-(4-methylcyclohexyl)ethyl]oxirane

2-[2-(4-methylcyclohexyl)ethyl]oxirane (PubChem CID 58971302) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-[2-(4-methylcyclohexyl)ethyl]oxirane.

Molecular Properties

Compound Name2-[2-(4-methylcyclohexyl)ethyl]oxirane
PubChem CID58971302
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-[2-(4-methylcyclohexyl)ethyl]oxirane
SMILESCC1CCC(CCC2CO2)CC1
InChIInChI=1S/C11H20O/c1-9-2-4-10(5-3-9)6-7-11-8-12-11/h9-11H,2-8H2,1H3
InChIKeyDFGYAPCGSCJDMX-UHFFFAOYSA-N
XLogP2.99
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.99
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

5-methyl-2-[2-(5-methyloxan-2-yl)ethyl]oxane
CID 123400245
CID 20632302
CID 20632302
2-[2-(4-methylcyclohexyl)ethyl]-5-(4-methylphenyl)oxane
CID 143210170
1-(2-cyclohexylethyl)-4-[2-(4-methylcyclohexyl)ethynyl]cyclohexane;rutherfordium
CID 58650738
CID 175475934
CID 175475934
2-[(4-butylcyclohexyl)methyl]oxirane
CID 174838553
5-(2,3-difluoro-4-methylphenyl)-2-[2-(4-methylcyclohexyl)ethyl]oxane
CID 21337869
2-[2-[5-[(4-methylcyclohex-3-en-1-yl)methyl]oxan-2-yl]ethyl]-5-[2-(4-methylcyclohexyl)ethyl]oxane
CID 146247380
ethane;ethene;4-[6-[2-(4-methylcyclohexyl)ethyl]oxan-3-yl]phenol
CID 143210065
(4-methylcyclohexyl)-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]methanone
CID 59938817
1,3,6-trimethyl-9-propylcycloundecane
CID 123524783
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylcyclohexyl)ethyl]oxirane?
The IUPAC name of 2-[2-(4-methylcyclohexyl)ethyl]oxirane (CID 58971302) is 2-[2-(4-methylcyclohexyl)ethyl]oxirane.
What is the SMILES notation for 2-[2-(4-methylcyclohexyl)ethyl]oxirane?
The canonical SMILES for 2-[2-(4-methylcyclohexyl)ethyl]oxirane is CC1CCC(CCC2CO2)CC1.
What is the InChIKey of 2-[2-(4-methylcyclohexyl)ethyl]oxirane?
The InChIKey is DFGYAPCGSCJDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-9-2-4-10(5-3-9)6-7-11-8-12-11/h9-11H,2-8H2,1H3.
What are the key properties of 2-[2-(4-methylcyclohexyl)ethyl]oxirane?
2-[2-(4-methylcyclohexyl)ethyl]oxirane has a molecular weight of 168.28 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylcyclohexyl)ethyl]oxirane is sourced from PubChem (CID 58971302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).