(2R)-2-cyclohexyl-2-methyloxirane

C9H16O — CID 101039402

IUPAC(2R)-2-cyclohexyl-2-methyloxirane
SMILESC[C@@]1(C2CCCCC2)CO1
InChIInChI=1S/C9H16O/c1-9(7-10-9)8-5-3-2-4-6-8/h8H,2-7H2,1H3/t9-/m0/s1
InChIKeyVTBARQXSMYZCEX-VIFPVBQESA-N
MW140.23 g/mol
LogP2.36
Rot. Bonds1

About (2R)-2-cyclohexyl-2-methyloxirane

(2R)-2-cyclohexyl-2-methyloxirane (PubChem CID 101039402) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (2R)-2-cyclohexyl-2-methyloxirane.

Molecular Properties

Compound Name(2R)-2-cyclohexyl-2-methyloxirane
PubChem CID101039402
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(2R)-2-cyclohexyl-2-methyloxirane
SMILESC[C@@]1(C2CCCCC2)CO1
InChIInChI=1S/C9H16O/c1-9(7-10-9)8-5-3-2-4-6-8/h8H,2-7H2,1H3/t9-/m0/s1
InChIKeyVTBARQXSMYZCEX-VIFPVBQESA-N
XLogP2.36
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.36
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

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(3aR,7aR)-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran
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(3aR,7aS)-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran
CID 124636274
1-methyl-4-(2-methyloxiran-2-yl)piperidine
CID 116864147
2-cyclopentyl-2-methyl-1,3-dioxane
CID 45098524
5-cyclohexyl-5-methyl-1,3-dioxane
CID 70232095
11,11-dimethylbicyclo[4.4.1]undecane
CID 71443320
5-cyclohexyl-2,2-dimethyl-1,3-dioxane-5-carbaldehyde
CID 19904425
2-cyclohexyl-2,4,5-trimethyl-1,3-dioxolane
CID 12914106
1-methyl-2-oxabicyclo[2.2.0]hexane
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2,2-dicyclohexyl-1,3-dioxolane
CID 102096003

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclohexyl-2-methyloxirane?
The IUPAC name of (2R)-2-cyclohexyl-2-methyloxirane (CID 101039402) is (2R)-2-cyclohexyl-2-methyloxirane.
What is the SMILES notation for (2R)-2-cyclohexyl-2-methyloxirane?
The canonical SMILES for (2R)-2-cyclohexyl-2-methyloxirane is C[C@@]1(C2CCCCC2)CO1.
What is the InChIKey of (2R)-2-cyclohexyl-2-methyloxirane?
The InChIKey is VTBARQXSMYZCEX-VIFPVBQESA-N. The full InChI is InChI=1S/C9H16O/c1-9(7-10-9)8-5-3-2-4-6-8/h8H,2-7H2,1H3/t9-/m0/s1.
What are the key properties of (2R)-2-cyclohexyl-2-methyloxirane?
(2R)-2-cyclohexyl-2-methyloxirane has a molecular weight of 140.23 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclohexyl-2-methyloxirane is sourced from PubChem (CID 101039402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).