2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]oxirane

C13H24O2 — CID 11458526

IUPAC2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]oxirane
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC1CO1
InChIInChI=1S/C13H24O2/c1-9(2)12-5-4-10(3)6-13(12)15-8-11-7-14-11/h9-13H,4-8H2,1-3H3/t10-,11?,12+,13-/m1/s1
InChIKeyIZZBZFTTXPTJDE-IBSWDFHHSA-N
MW212.33 g/mol
LogP2.86
Rot. Bonds4

About 2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]oxirane

2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]oxirane (PubChem CID 11458526) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]oxirane.

Molecular Properties

Compound Name2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]oxirane
PubChem CID11458526
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]oxirane
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC1CO1
InChIInChI=1S/C13H24O2/c1-9(2)12-5-4-10(3)6-13(12)15-8-11-7-14-11/h9-13H,4-8H2,1-3H3/t10-,11?,12+,13-/m1/s1
InChIKeyIZZBZFTTXPTJDE-IBSWDFHHSA-N
XLogP2.86
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 52.86
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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Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]oxirane?
The IUPAC name of 2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]oxirane (CID 11458526) is 2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]oxirane.
What is the SMILES notation for 2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]oxirane?
The canonical SMILES for 2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]oxirane is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC1CO1.
What is the InChIKey of 2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]oxirane?
The InChIKey is IZZBZFTTXPTJDE-IBSWDFHHSA-N. The full InChI is InChI=1S/C13H24O2/c1-9(2)12-5-4-10(3)6-13(12)15-8-11-7-14-11/h9-13H,4-8H2,1-3H3/t10-,11?,12+,13-/m1/s1.
What are the key properties of 2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]oxirane?
2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]oxirane has a molecular weight of 212.33 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]oxirane is sourced from PubChem (CID 11458526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).