(2S,3R)-2-cyclohexyl-3-ethenyloxirane

C10H16O — CID 12669132

IUPAC(2S,3R)-2-cyclohexyl-3-ethenyloxirane
SMILESC=C[C@H]1O[C@H]1C1CCCCC1
InChIInChI=1S/C10H16O/c1-2-9-10(11-9)8-6-4-3-5-7-8/h2,8-10H,1,3-7H2/t9-,10+/m1/s1
InChIKeyBHPPRTJUJLRXEZ-ZJUUUORDSA-N
MW152.24 g/mol
LogP2.52
Rot. Bonds2

About (2S,3R)-2-cyclohexyl-3-ethenyloxirane

(2S,3R)-2-cyclohexyl-3-ethenyloxirane (PubChem CID 12669132) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (2S,3R)-2-cyclohexyl-3-ethenyloxirane.

Molecular Properties

Compound Name(2S,3R)-2-cyclohexyl-3-ethenyloxirane
PubChem CID12669132
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(2S,3R)-2-cyclohexyl-3-ethenyloxirane
SMILESC=C[C@H]1O[C@H]1C1CCCCC1
InChIInChI=1S/C10H16O/c1-2-9-10(11-9)8-6-4-3-5-7-8/h2,8-10H,1,3-7H2/t9-,10+/m1/s1
InChIKeyBHPPRTJUJLRXEZ-ZJUUUORDSA-N
XLogP2.52
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.52
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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Related Compounds

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CID 4417734
1-Vinyl-13-oxabicyclo[10.1.0]tridecane
CID 5073938
1-Prop-2-enoxy-1-prop-2-enylcyclohexane
CID 11321310
1-Prop-2-enoxybut-3-enylcyclohexane
CID 10631684
2-cyclohexyl-3,6-dihydro-2H-pyran
CID 11126643
2H-Pyran, 2-cyclohexyl-5,6-dihydro-
CID 11829812
2-Cyclohexyl-2,5-dihydrofuran
CID 15368674
(2S,3S)-2-ethenyl-3-[(1S,2S)-2-ethenylcyclopentyl]oxirane
CID 163114494
[2-Methyl-1-(2-methylprop-2-enoxy)prop-2-enyl]cyclohexane
CID 20816777
(2R)-2-cyclohexyl-2,5-dihydrofuran
CID 118013458
(1-Methoxy-3-buten-1-yl)cyclohexane
CID 10442090
2-Ethenyl-1-oxaspiro[2.5]octane
CID 11062454

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-cyclohexyl-3-ethenyloxirane?
The IUPAC name of (2S,3R)-2-cyclohexyl-3-ethenyloxirane (CID 12669132) is (2S,3R)-2-cyclohexyl-3-ethenyloxirane.
What is the SMILES notation for (2S,3R)-2-cyclohexyl-3-ethenyloxirane?
The canonical SMILES for (2S,3R)-2-cyclohexyl-3-ethenyloxirane is C=C[C@H]1O[C@H]1C1CCCCC1.
What is the InChIKey of (2S,3R)-2-cyclohexyl-3-ethenyloxirane?
The InChIKey is BHPPRTJUJLRXEZ-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H16O/c1-2-9-10(11-9)8-6-4-3-5-7-8/h2,8-10H,1,3-7H2/t9-,10+/m1/s1.
What are the key properties of (2S,3R)-2-cyclohexyl-3-ethenyloxirane?
(2S,3R)-2-cyclohexyl-3-ethenyloxirane has a molecular weight of 152.24 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-cyclohexyl-3-ethenyloxirane is sourced from PubChem (CID 12669132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).