2-[(2S)-2-prop-2-enoxypent-4-enoxy]oxane

C13H22O3 — CID 134832597

IUPAC2-[(2S)-2-prop-2-enoxypent-4-enoxy]oxane
SMILESC=CCO[C@@H](CC=C)COC1CCCCO1
InChIInChI=1S/C13H22O3/c1-3-7-12(14-9-4-2)11-16-13-8-5-6-10-15-13/h3-4,12-13H,1-2,5-11H2/t12-,13?/m0/s1
InChIKeyMOFBNZQEIPZFHT-UEWDXFNNSA-N
MW226.32 g/mol
LogP2.68
Rot. Bonds8

About 2-[(2S)-2-prop-2-enoxypent-4-enoxy]oxane

2-[(2S)-2-prop-2-enoxypent-4-enoxy]oxane (PubChem CID 134832597) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[(2S)-2-prop-2-enoxypent-4-enoxy]oxane.

Molecular Properties

Compound Name2-[(2S)-2-prop-2-enoxypent-4-enoxy]oxane
PubChem CID134832597
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name2-[(2S)-2-prop-2-enoxypent-4-enoxy]oxane
SMILESC=CCO[C@@H](CC=C)COC1CCCCO1
InChIInChI=1S/C13H22O3/c1-3-7-12(14-9-4-2)11-16-13-8-5-6-10-15-13/h3-4,12-13H,1-2,5-11H2/t12-,13?/m0/s1
InChIKeyMOFBNZQEIPZFHT-UEWDXFNNSA-N
XLogP2.68
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-prop-2-enoxypent-4-enoxy]oxane?
The IUPAC name of 2-[(2S)-2-prop-2-enoxypent-4-enoxy]oxane (CID 134832597) is 2-[(2S)-2-prop-2-enoxypent-4-enoxy]oxane.
What is the SMILES notation for 2-[(2S)-2-prop-2-enoxypent-4-enoxy]oxane?
The canonical SMILES for 2-[(2S)-2-prop-2-enoxypent-4-enoxy]oxane is C=CCO[C@@H](CC=C)COC1CCCCO1.
What is the InChIKey of 2-[(2S)-2-prop-2-enoxypent-4-enoxy]oxane?
The InChIKey is MOFBNZQEIPZFHT-UEWDXFNNSA-N. The full InChI is InChI=1S/C13H22O3/c1-3-7-12(14-9-4-2)11-16-13-8-5-6-10-15-13/h3-4,12-13H,1-2,5-11H2/t12-,13?/m0/s1.
What are the key properties of 2-[(2S)-2-prop-2-enoxypent-4-enoxy]oxane?
2-[(2S)-2-prop-2-enoxypent-4-enoxy]oxane has a molecular weight of 226.32 g/mol, XLogP of 2.68, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-prop-2-enoxypent-4-enoxy]oxane is sourced from PubChem (CID 134832597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).