(2R,3R)-2-cyclohexyl-3-prop-1-en-2-yloxirane

C11H18O — CID 135056455

IUPAC(2R,3R)-2-cyclohexyl-3-prop-1-en-2-yloxirane
SMILESC=C(C)[C@H]1O[C@@H]1C1CCCCC1
InChIInChI=1S/C11H18O/c1-8(2)10-11(12-10)9-6-4-3-5-7-9/h9-11H,1,3-7H2,2H3/t10-,11-/m1/s1
InChIKeyBUXUQXYIOQQFHH-GHMZBOCLSA-N
MW166.26 g/mol
LogP2.91
Rot. Bonds2

About (2R,3R)-2-cyclohexyl-3-prop-1-en-2-yloxirane

(2R,3R)-2-cyclohexyl-3-prop-1-en-2-yloxirane (PubChem CID 135056455) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (2R,3R)-2-cyclohexyl-3-prop-1-en-2-yloxirane.

Molecular Properties

Compound Name(2R,3R)-2-cyclohexyl-3-prop-1-en-2-yloxirane
PubChem CID135056455
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(2R,3R)-2-cyclohexyl-3-prop-1-en-2-yloxirane
SMILESC=C(C)[C@H]1O[C@@H]1C1CCCCC1
InChIInChI=1S/C11H18O/c1-8(2)10-11(12-10)9-6-4-3-5-7-9/h9-11H,1,3-7H2,2H3/t10-,11-/m1/s1
InChIKeyBUXUQXYIOQQFHH-GHMZBOCLSA-N
XLogP2.91
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-cyclohexyl-3-prop-1-en-2-yloxirane?
The IUPAC name of (2R,3R)-2-cyclohexyl-3-prop-1-en-2-yloxirane (CID 135056455) is (2R,3R)-2-cyclohexyl-3-prop-1-en-2-yloxirane.
What is the SMILES notation for (2R,3R)-2-cyclohexyl-3-prop-1-en-2-yloxirane?
The canonical SMILES for (2R,3R)-2-cyclohexyl-3-prop-1-en-2-yloxirane is C=C(C)[C@H]1O[C@@H]1C1CCCCC1.
What is the InChIKey of (2R,3R)-2-cyclohexyl-3-prop-1-en-2-yloxirane?
The InChIKey is BUXUQXYIOQQFHH-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H18O/c1-8(2)10-11(12-10)9-6-4-3-5-7-9/h9-11H,1,3-7H2,2H3/t10-,11-/m1/s1.
What are the key properties of (2R,3R)-2-cyclohexyl-3-prop-1-en-2-yloxirane?
(2R,3R)-2-cyclohexyl-3-prop-1-en-2-yloxirane has a molecular weight of 166.26 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-cyclohexyl-3-prop-1-en-2-yloxirane is sourced from PubChem (CID 135056455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).