1-cyclohexyl-1-(2-methyloxiran-2-yl)propan-2-one

C12H20O2 — CID 135049654

IUPAC1-cyclohexyl-1-(2-methyloxiran-2-yl)propan-2-one
SMILESCC(=O)C(C1CCCCC1)C1(C)CO1
InChIInChI=1S/C12H20O2/c1-9(13)11(12(2)8-14-12)10-6-4-3-5-7-10/h10-11H,3-8H2,1-2H3
InChIKeyRMQWNTHXYXGORE-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.56
Rot. Bonds3

About 1-cyclohexyl-1-(2-methyloxiran-2-yl)propan-2-one

1-cyclohexyl-1-(2-methyloxiran-2-yl)propan-2-one (PubChem CID 135049654) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-cyclohexyl-1-(2-methyloxiran-2-yl)propan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-1-(2-methyloxiran-2-yl)propan-2-one
PubChem CID135049654
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name1-cyclohexyl-1-(2-methyloxiran-2-yl)propan-2-one
SMILESCC(=O)C(C1CCCCC1)C1(C)CO1
InChIInChI=1S/C12H20O2/c1-9(13)11(12(2)8-14-12)10-6-4-3-5-7-10/h10-11H,3-8H2,1-2H3
InChIKeyRMQWNTHXYXGORE-UHFFFAOYSA-N
XLogP2.56
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.56
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 1-cyclohexyl-1-(2-methyloxiran-2-yl)propan-2-one?
The IUPAC name of 1-cyclohexyl-1-(2-methyloxiran-2-yl)propan-2-one (CID 135049654) is 1-cyclohexyl-1-(2-methyloxiran-2-yl)propan-2-one.
What is the SMILES notation for 1-cyclohexyl-1-(2-methyloxiran-2-yl)propan-2-one?
The canonical SMILES for 1-cyclohexyl-1-(2-methyloxiran-2-yl)propan-2-one is CC(=O)C(C1CCCCC1)C1(C)CO1.
What is the InChIKey of 1-cyclohexyl-1-(2-methyloxiran-2-yl)propan-2-one?
The InChIKey is RMQWNTHXYXGORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-9(13)11(12(2)8-14-12)10-6-4-3-5-7-10/h10-11H,3-8H2,1-2H3.
What are the key properties of 1-cyclohexyl-1-(2-methyloxiran-2-yl)propan-2-one?
1-cyclohexyl-1-(2-methyloxiran-2-yl)propan-2-one has a molecular weight of 196.29 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-(2-methyloxiran-2-yl)propan-2-one is sourced from PubChem (CID 135049654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).