(2S,3S)-2-ethenyl-3-pentyloxirane

C9H16O — CID 12671765

IUPAC(2S,3S)-2-ethenyl-3-pentyloxirane
SMILESC=C[C@@H]1O[C@H]1CCCCC
InChIInChI=1S/C9H16O/c1-3-5-6-7-9-8(4-2)10-9/h4,8-9H,2-3,5-7H2,1H3/t8-,9-/m0/s1
InChIKeyPZWZUMMWEHRHFB-IUCAKERBSA-N
MW140.23 g/mol
LogP2.52
Rot. Bonds5

About (2S,3S)-2-ethenyl-3-pentyloxirane

(2S,3S)-2-ethenyl-3-pentyloxirane (PubChem CID 12671765) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (2S,3S)-2-ethenyl-3-pentyloxirane.

Molecular Properties

Compound Name(2S,3S)-2-ethenyl-3-pentyloxirane
PubChem CID12671765
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(2S,3S)-2-ethenyl-3-pentyloxirane
SMILESC=C[C@@H]1O[C@H]1CCCCC
InChIInChI=1S/C9H16O/c1-3-5-6-7-9-8(4-2)10-9/h4,8-9H,2-3,5-7H2,1H3/t8-,9-/m0/s1
InChIKeyPZWZUMMWEHRHFB-IUCAKERBSA-N
XLogP2.52
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.52
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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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-ethenyl-3-pentyloxirane?
The IUPAC name of (2S,3S)-2-ethenyl-3-pentyloxirane (CID 12671765) is (2S,3S)-2-ethenyl-3-pentyloxirane.
What is the SMILES notation for (2S,3S)-2-ethenyl-3-pentyloxirane?
The canonical SMILES for (2S,3S)-2-ethenyl-3-pentyloxirane is C=C[C@@H]1O[C@H]1CCCCC.
What is the InChIKey of (2S,3S)-2-ethenyl-3-pentyloxirane?
The InChIKey is PZWZUMMWEHRHFB-IUCAKERBSA-N. The full InChI is InChI=1S/C9H16O/c1-3-5-6-7-9-8(4-2)10-9/h4,8-9H,2-3,5-7H2,1H3/t8-,9-/m0/s1.
What are the key properties of (2S,3S)-2-ethenyl-3-pentyloxirane?
(2S,3S)-2-ethenyl-3-pentyloxirane has a molecular weight of 140.23 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-ethenyl-3-pentyloxirane is sourced from PubChem (CID 12671765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).