(2R,3S)-2-but-3-enyl-3-ethyloxirane

C8H14O — CID 162420331

IUPAC(2R,3S)-2-but-3-enyl-3-ethyloxirane
SMILESC=CCC[C@H]1O[C@H]1CC
InChIInChI=1S/C8H14O/c1-3-5-6-8-7(4-2)9-8/h3,7-8H,1,4-6H2,2H3/t7-,8+/m0/s1
InChIKeyPVSFKLZEGPBMKX-JGVFFNPUSA-N
MW126.20 g/mol
LogP2.13
Rot. Bonds4

About (2R,3S)-2-but-3-enyl-3-ethyloxirane

(2R,3S)-2-but-3-enyl-3-ethyloxirane (PubChem CID 162420331) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (2R,3S)-2-but-3-enyl-3-ethyloxirane.

Molecular Properties

Compound Name(2R,3S)-2-but-3-enyl-3-ethyloxirane
PubChem CID162420331
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(2R,3S)-2-but-3-enyl-3-ethyloxirane
SMILESC=CCC[C@H]1O[C@H]1CC
InChIInChI=1S/C8H14O/c1-3-5-6-8-7(4-2)9-8/h3,7-8H,1,4-6H2,2H3/t7-,8+/m0/s1
InChIKeyPVSFKLZEGPBMKX-JGVFFNPUSA-N
XLogP2.13
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.13
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

Oxirane, 5-hexenyl-
CID 29678
1,2-Epoxy-5-hexene
CID 66314
1,2-Epoxy-5,9-cyclododecadiene
CID 5357430
(2S)-2-(But-3-en-1-yl)oxirane
CID 6999053
9,10-Epoxy-1,5-cyclododecadiene
CID 6025413
(2R,3R)-2-dec-9-enyl-3-pentyloxirane
CID 162959353
(2R)-2-but-3-enyloxirane
CID 6999054
4-Methoxy-1-octene
CID 12657009
(4Z,8E)-13-oxabicyclo[10.1.0]trideca-4,8-diene
CID 13049640
3,4-Epoxy-7-octene
CID 162420336
1,2-Epoxycyclododeca-5,9-diene
CID 79135
(2R)-2-hex-5-enyloxirane
CID 6999067

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-but-3-enyl-3-ethyloxirane?
The IUPAC name of (2R,3S)-2-but-3-enyl-3-ethyloxirane (CID 162420331) is (2R,3S)-2-but-3-enyl-3-ethyloxirane.
What is the SMILES notation for (2R,3S)-2-but-3-enyl-3-ethyloxirane?
The canonical SMILES for (2R,3S)-2-but-3-enyl-3-ethyloxirane is C=CCC[C@H]1O[C@H]1CC.
What is the InChIKey of (2R,3S)-2-but-3-enyl-3-ethyloxirane?
The InChIKey is PVSFKLZEGPBMKX-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H14O/c1-3-5-6-8-7(4-2)9-8/h3,7-8H,1,4-6H2,2H3/t7-,8+/m0/s1.
What are the key properties of (2R,3S)-2-but-3-enyl-3-ethyloxirane?
(2R,3S)-2-but-3-enyl-3-ethyloxirane has a molecular weight of 126.20 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-but-3-enyl-3-ethyloxirane is sourced from PubChem (CID 162420331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).