2-[(2S)-2-ethylbut-3-enoxy]oxane

C11H20O2 — CID 11480868

IUPAC2-[(2S)-2-ethylbut-3-enoxy]oxane
SMILESC=C[C@H](CC)COC1CCCCO1
InChIInChI=1S/C11H20O2/c1-3-10(4-2)9-13-11-7-5-6-8-12-11/h3,10-11H,1,4-9H2,2H3/t10-,11?/m1/s1
InChIKeyBXKNMZIOWRCKJN-NFJWQWPMSA-N
MW184.28 g/mol
LogP2.74
Rot. Bonds5

About 2-[(2S)-2-ethylbut-3-enoxy]oxane

2-[(2S)-2-ethylbut-3-enoxy]oxane (PubChem CID 11480868) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-[(2S)-2-ethylbut-3-enoxy]oxane.

Molecular Properties

Compound Name2-[(2S)-2-ethylbut-3-enoxy]oxane
PubChem CID11480868
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-[(2S)-2-ethylbut-3-enoxy]oxane
SMILESC=C[C@H](CC)COC1CCCCO1
InChIInChI=1S/C11H20O2/c1-3-10(4-2)9-13-11-7-5-6-8-12-11/h3,10-11H,1,4-9H2,2H3/t10-,11?/m1/s1
InChIKeyBXKNMZIOWRCKJN-NFJWQWPMSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-ethylbut-3-enoxy]oxane?
The IUPAC name of 2-[(2S)-2-ethylbut-3-enoxy]oxane (CID 11480868) is 2-[(2S)-2-ethylbut-3-enoxy]oxane.
What is the SMILES notation for 2-[(2S)-2-ethylbut-3-enoxy]oxane?
The canonical SMILES for 2-[(2S)-2-ethylbut-3-enoxy]oxane is C=C[C@H](CC)COC1CCCCO1.
What is the InChIKey of 2-[(2S)-2-ethylbut-3-enoxy]oxane?
The InChIKey is BXKNMZIOWRCKJN-NFJWQWPMSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-10(4-2)9-13-11-7-5-6-8-12-11/h3,10-11H,1,4-9H2,2H3/t10-,11?/m1/s1.
What are the key properties of 2-[(2S)-2-ethylbut-3-enoxy]oxane?
2-[(2S)-2-ethylbut-3-enoxy]oxane has a molecular weight of 184.28 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-ethylbut-3-enoxy]oxane is sourced from PubChem (CID 11480868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).