2-methoxy-2-(2-methylcyclohexyl)oxirane

C10H18O2 — CID 147104462

IUPAC2-methoxy-2-(2-methylcyclohexyl)oxirane
SMILESCOC1(C2CCCCC2C)CO1
InChIInChI=1S/C10H18O2/c1-8-5-3-4-6-9(8)10(11-2)7-12-10/h8-9H,3-7H2,1-2H3
InChIKeyBLHHAPMNWWIDAC-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.19
Rot. Bonds2

About 2-methoxy-2-(2-methylcyclohexyl)oxirane

2-methoxy-2-(2-methylcyclohexyl)oxirane (PubChem CID 147104462) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-methoxy-2-(2-methylcyclohexyl)oxirane.

Molecular Properties

Compound Name2-methoxy-2-(2-methylcyclohexyl)oxirane
PubChem CID147104462
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-methoxy-2-(2-methylcyclohexyl)oxirane
SMILESCOC1(C2CCCCC2C)CO1
InChIInChI=1S/C10H18O2/c1-8-5-3-4-6-9(8)10(11-2)7-12-10/h8-9H,3-7H2,1-2H3
InChIKeyBLHHAPMNWWIDAC-UHFFFAOYSA-N
XLogP2.19
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.19
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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Related Compounds

trans-(1R,2R)-1-(1-methoxycyclopropyl)-2-methylcyclohexane
CID 12564478
1-(1-ethylcyclopentyl)-2-methylcyclohexane
CID 173420432
1-[1-(bromomethyl)cyclopropyl]-2-methylcyclohexane
CID 165443124
1,2-dimethylcyclohexane;vanadium
CID 142004480
1,2-dimethylcyclononadecane
CID 123549851
1,2-dimethylcycloicosane
CID 123296856
2-cyclopropyl-2-methoxyoxolane
CID 158451522
2-methyl-2-(2-methylcyclopentyl)azetidine
CID 163881619
(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)-2-[(1S,2R)-2-methylcyclohexyl]oxirane
CID 126580616
methyl N-[2-(2-hydroxyoxiran-2-yl)cyclohexyl]carbamate
CID 91023755
1,2-dimethylcyclohexane;ethane;propane
CID 142115318
trans-(1R,2R)-1-methoxy-2-methylcyclohexane
CID 12546407

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(2-methylcyclohexyl)oxirane?
The IUPAC name of 2-methoxy-2-(2-methylcyclohexyl)oxirane (CID 147104462) is 2-methoxy-2-(2-methylcyclohexyl)oxirane.
What is the SMILES notation for 2-methoxy-2-(2-methylcyclohexyl)oxirane?
The canonical SMILES for 2-methoxy-2-(2-methylcyclohexyl)oxirane is COC1(C2CCCCC2C)CO1.
What is the InChIKey of 2-methoxy-2-(2-methylcyclohexyl)oxirane?
The InChIKey is BLHHAPMNWWIDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8-5-3-4-6-9(8)10(11-2)7-12-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-methoxy-2-(2-methylcyclohexyl)oxirane?
2-methoxy-2-(2-methylcyclohexyl)oxirane has a molecular weight of 170.25 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(2-methylcyclohexyl)oxirane is sourced from PubChem (CID 147104462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).