(2R)-2-ethenyl-2-hexyloxirane

C10H18O — CID 154718439

IUPAC(2R)-2-ethenyl-2-hexyloxirane
SMILESC=C[C@]1(CCCCCC)CO1
InChIInChI=1S/C10H18O/c1-3-5-6-7-8-10(4-2)9-11-10/h4H,2-3,5-9H2,1H3/t10-/m0/s1
InChIKeyBPTQUMJFOAVPIZ-JTQLQIEISA-N
MW154.25 g/mol
LogP2.91
Rot. Bonds6

About (2R)-2-ethenyl-2-hexyloxirane

(2R)-2-ethenyl-2-hexyloxirane (PubChem CID 154718439) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (2R)-2-ethenyl-2-hexyloxirane.

Molecular Properties

Compound Name(2R)-2-ethenyl-2-hexyloxirane
PubChem CID154718439
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(2R)-2-ethenyl-2-hexyloxirane
SMILESC=C[C@]1(CCCCCC)CO1
InChIInChI=1S/C10H18O/c1-3-5-6-7-8-10(4-2)9-11-10/h4H,2-3,5-9H2,1H3/t10-/m0/s1
InChIKeyBPTQUMJFOAVPIZ-JTQLQIEISA-N
XLogP2.91
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-ethenyl-2-hexadecyloxirane
CID 11358364
(2R)-2-octyloxirane-2-carbaldehyde
CID 135065142
2-hexadecyl-2-tetradecyloxirane
CID 71421731
2-icosyl-2-methyloxirane
CID 87753382
2-methyl-2-nonadecyloxirane
CID 87754306
2-hexadecyl-2-methyloxirane
CID 87444144
2-octyloxiran-2-amine
CID 87096100
3-methyl-3-octyloxetane
CID 162658167
2-fluoro-2-hexyloxirane
CID 21452195
2-hexyl-2-propyloxirane
CID 139691135
2-methyl-2-pentyloxirane
CID 559073
2-hexyl-2-propan-2-yloxirane
CID 170634762

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethenyl-2-hexyloxirane?
The IUPAC name of (2R)-2-ethenyl-2-hexyloxirane (CID 154718439) is (2R)-2-ethenyl-2-hexyloxirane.
What is the SMILES notation for (2R)-2-ethenyl-2-hexyloxirane?
The canonical SMILES for (2R)-2-ethenyl-2-hexyloxirane is C=C[C@]1(CCCCCC)CO1.
What is the InChIKey of (2R)-2-ethenyl-2-hexyloxirane?
The InChIKey is BPTQUMJFOAVPIZ-JTQLQIEISA-N. The full InChI is InChI=1S/C10H18O/c1-3-5-6-7-8-10(4-2)9-11-10/h4H,2-3,5-9H2,1H3/t10-/m0/s1.
What are the key properties of (2R)-2-ethenyl-2-hexyloxirane?
(2R)-2-ethenyl-2-hexyloxirane has a molecular weight of 154.25 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethenyl-2-hexyloxirane is sourced from PubChem (CID 154718439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).