2-[(2S)-2-ethenylpentoxy]oxane

C12H22O2 — CID 11550183

IUPAC2-[(2S)-2-ethenylpentoxy]oxane
SMILESC=C[C@H](CCC)COC1CCCCO1
InChIInChI=1S/C12H22O2/c1-3-7-11(4-2)10-14-12-8-5-6-9-13-12/h4,11-12H,2-3,5-10H2,1H3/t11-,12?/m1/s1
InChIKeyOKOLLTNZZFEQTP-JHJMLUEUSA-N
MW198.31 g/mol
LogP3.13
Rot. Bonds6

About 2-[(2S)-2-ethenylpentoxy]oxane

2-[(2S)-2-ethenylpentoxy]oxane (PubChem CID 11550183) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[(2S)-2-ethenylpentoxy]oxane.

Molecular Properties

Compound Name2-[(2S)-2-ethenylpentoxy]oxane
PubChem CID11550183
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-[(2S)-2-ethenylpentoxy]oxane
SMILESC=C[C@H](CCC)COC1CCCCO1
InChIInChI=1S/C12H22O2/c1-3-7-11(4-2)10-14-12-8-5-6-9-13-12/h4,11-12H,2-3,5-10H2,1H3/t11-,12?/m1/s1
InChIKeyOKOLLTNZZFEQTP-JHJMLUEUSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.13
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-ethenylpentoxy]oxane?
The IUPAC name of 2-[(2S)-2-ethenylpentoxy]oxane (CID 11550183) is 2-[(2S)-2-ethenylpentoxy]oxane.
What is the SMILES notation for 2-[(2S)-2-ethenylpentoxy]oxane?
The canonical SMILES for 2-[(2S)-2-ethenylpentoxy]oxane is C=C[C@H](CCC)COC1CCCCO1.
What is the InChIKey of 2-[(2S)-2-ethenylpentoxy]oxane?
The InChIKey is OKOLLTNZZFEQTP-JHJMLUEUSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-7-11(4-2)10-14-12-8-5-6-9-13-12/h4,11-12H,2-3,5-10H2,1H3/t11-,12?/m1/s1.
What are the key properties of 2-[(2S)-2-ethenylpentoxy]oxane?
2-[(2S)-2-ethenylpentoxy]oxane has a molecular weight of 198.31 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-ethenylpentoxy]oxane is sourced from PubChem (CID 11550183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).