(2S,3R)-2,3-dicyclohexyloxirane

C14H24O — CID 169013366

IUPAC(2S,3R)-2,3-dicyclohexyloxirane
SMILESC1CCC([C@H]2O[C@H]2C2CCCCC2)CC1
InChIInChI=1S/C14H24O/c1-3-7-11(8-4-1)13-14(15-13)12-9-5-2-6-10-12/h11-14H,1-10H2/t13-,14+
InChIKeyXATVCQHEABSENL-OKILXGFUSA-N
MW208.34 g/mol
LogP3.91
Rot. Bonds2

About (2S,3R)-2,3-dicyclohexyloxirane

(2S,3R)-2,3-dicyclohexyloxirane (PubChem CID 169013366) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (2S,3R)-2,3-dicyclohexyloxirane.

Molecular Properties

Compound Name(2S,3R)-2,3-dicyclohexyloxirane
PubChem CID169013366
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(2S,3R)-2,3-dicyclohexyloxirane
SMILESC1CCC([C@H]2O[C@H]2C2CCCCC2)CC1
InChIInChI=1S/C14H24O/c1-3-7-11(8-4-1)13-14(15-13)12-9-5-2-6-10-12/h11-14H,1-10H2/t13-,14+
InChIKeyXATVCQHEABSENL-OKILXGFUSA-N
XLogP3.91
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.91
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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cyclohexylcycloheptane
CID 524589
cyclononylcycloicosane
CID 123187062
4,5-dicyclohexyl-2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide
CID 58900627
(3-cyclohexyloxiran-2-yl)-methylsilane
CID 175312810
2-cyclohexyl-3-ethenyloxirane
CID 12669133
(3-cyclohexyloxiran-2-yl)-methylsilane;hydrate
CID 175312809
azane;cyclohexylcyclohexane
CID 66583255
1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
CID 123286414
(3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene
CID 14112261
1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene
CID 58552309

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2,3-dicyclohexyloxirane?
The IUPAC name of (2S,3R)-2,3-dicyclohexyloxirane (CID 169013366) is (2S,3R)-2,3-dicyclohexyloxirane.
What is the SMILES notation for (2S,3R)-2,3-dicyclohexyloxirane?
The canonical SMILES for (2S,3R)-2,3-dicyclohexyloxirane is C1CCC([C@H]2O[C@H]2C2CCCCC2)CC1.
What is the InChIKey of (2S,3R)-2,3-dicyclohexyloxirane?
The InChIKey is XATVCQHEABSENL-OKILXGFUSA-N. The full InChI is InChI=1S/C14H24O/c1-3-7-11(8-4-1)13-14(15-13)12-9-5-2-6-10-12/h11-14H,1-10H2/t13-,14+.
What are the key properties of (2S,3R)-2,3-dicyclohexyloxirane?
(2S,3R)-2,3-dicyclohexyloxirane has a molecular weight of 208.34 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2,3-dicyclohexyloxirane is sourced from PubChem (CID 169013366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).