2-[1,3-bis(prop-2-enoxy)propan-2-yloxy]oxane;2-[1-(oxiran-2-ylmethoxy)-3-prop-2-enoxypropan-2-yl]oxyoxane

C28H48O9 — CID 160594356

IUPAC2-[1,3-bis(prop-2-enoxy)propan-2-yloxy]oxane;2-[1-(oxiran-2-ylmethoxy)-3-prop-2-enoxypropan-2-yl]oxyoxane
SMILESC=CCOCC(COCC1CO1)OC1CCCCO1.C=CCOCC(COCC=C)OC1CCCCO1
InChIInChI=1S/C14H24O5.C14H24O4/c1-2-6-15-9-13(10-16-8-12-11-18-12)19-14-5-3-4-7-17-14;1-3-8-15-11-13(12-16-9-4-2)18-14-7-5-6-10-17-14/h2,12-14H,1,3-11H2;3-4,13-14H,1-2,5-12H2
InChIKeyRDKYSEHPALBLKD-UHFFFAOYSA-N
MW528.68 g/mol
LogP3.82
Rot. Bonds20

About 2-[1,3-bis(prop-2-enoxy)propan-2-yloxy]oxane;2-[1-(oxiran-2-ylmethoxy)-3-prop-2-enoxypropan-2-yl]oxyoxane

2-[1,3-bis(prop-2-enoxy)propan-2-yloxy]oxane;2-[1-(oxiran-2-ylmethoxy)-3-prop-2-enoxypropan-2-yl]oxyoxane (PubChem CID 160594356) has the molecular formula C28H48O9 and a molecular weight of 528.68 g/mol. Its IUPAC name is 2-[1,3-bis(prop-2-enoxy)propan-2-yloxy]oxane;2-[1-(oxiran-2-ylmethoxy)-3-prop-2-enoxypropan-2-yl]oxyoxane.

Molecular Properties

Compound Name2-[1,3-bis(prop-2-enoxy)propan-2-yloxy]oxane;2-[1-(oxiran-2-ylmethoxy)-3-prop-2-enoxypropan-2-yl]oxyoxane
PubChem CID160594356
Molecular FormulaC28H48O9
Molecular Weight528.68 g/mol
Exact Mass528.33
IUPAC Name2-[1,3-bis(prop-2-enoxy)propan-2-yloxy]oxane;2-[1-(oxiran-2-ylmethoxy)-3-prop-2-enoxypropan-2-yl]oxyoxane
SMILESC=CCOCC(COCC1CO1)OC1CCCCO1.C=CCOCC(COCC=C)OC1CCCCO1
InChIInChI=1S/C14H24O5.C14H24O4/c1-2-6-15-9-13(10-16-8-12-11-18-12)19-14-5-3-4-7-17-14;1-3-8-15-11-13(12-16-9-4-2)18-14-7-5-6-10-17-14/h2,12-14H,1,3-11H2;3-4,13-14H,1-2,5-12H2
InChIKeyRDKYSEHPALBLKD-UHFFFAOYSA-N
XLogP3.82
TPSA86.37 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.68
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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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Related Compounds

2-[1,3-bis(but-3-enoxy)propan-2-yloxy]oxane
CID 177262162
1-methanidyloxy-3-[2-(oxan-2-yloxy)-3-prop-2-enoxypropoxy]propan-2-ol;methanol;bis(rutherfordium)
CID 177273983
2-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]butan-2-yloxy]oxane
CID 59690885
2-(4-prop-2-enoxybutoxymethyl)oxirane
CID 86229247
bis(2-(prop-2-enoxymethyl)oxirane);hydrate
CID 87216937
(2S)-2-[[(2R)-1-chloro-3-prop-2-enoxypropan-2-yl]oxymethyl]oxirane
CID 40531294
(2S)-2-[[(2R)-oxiran-2-yl]methoxy]oxane
CID 92982921
2-[5-[2-(methoxymethoxy)-3-(oxiran-2-ylmethoxy)propoxy]pentoxy]oxane
CID 166567769
CID 59971478
CID 59971478
2-[1-ethenyl-3-(oxan-2-yloxy)hex-5-enoxy]oxane
CID 139677172
3-[2-(oxiran-2-ylmethoxy)-3-prop-2-enoxypropoxy]propan-1-amine
CID 163490070
2-[(2S)-but-3-en-2-yl]oxyoxane
CID 11019115

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-bis(prop-2-enoxy)propan-2-yloxy]oxane;2-[1-(oxiran-2-ylmethoxy)-3-prop-2-enoxypropan-2-yl]oxyoxane?
The IUPAC name of 2-[1,3-bis(prop-2-enoxy)propan-2-yloxy]oxane;2-[1-(oxiran-2-ylmethoxy)-3-prop-2-enoxypropan-2-yl]oxyoxane (CID 160594356) is 2-[1,3-bis(prop-2-enoxy)propan-2-yloxy]oxane;2-[1-(oxiran-2-ylmethoxy)-3-prop-2-enoxypropan-2-yl]oxyoxane.
What is the SMILES notation for 2-[1,3-bis(prop-2-enoxy)propan-2-yloxy]oxane;2-[1-(oxiran-2-ylmethoxy)-3-prop-2-enoxypropan-2-yl]oxyoxane?
The canonical SMILES for 2-[1,3-bis(prop-2-enoxy)propan-2-yloxy]oxane;2-[1-(oxiran-2-ylmethoxy)-3-prop-2-enoxypropan-2-yl]oxyoxane is C=CCOCC(COCC1CO1)OC1CCCCO1.C=CCOCC(COCC=C)OC1CCCCO1.
What is the InChIKey of 2-[1,3-bis(prop-2-enoxy)propan-2-yloxy]oxane;2-[1-(oxiran-2-ylmethoxy)-3-prop-2-enoxypropan-2-yl]oxyoxane?
The InChIKey is RDKYSEHPALBLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O5.C14H24O4/c1-2-6-15-9-13(10-16-8-12-11-18-12)19-14-5-3-4-7-17-14;1-3-8-15-11-13(12-16-9-4-2)18-14-7-5-6-10-17-14/h2,12-14H,1,3-11H2;3-4,13-14H,1-2,5-12H2.
What are the key properties of 2-[1,3-bis(prop-2-enoxy)propan-2-yloxy]oxane;2-[1-(oxiran-2-ylmethoxy)-3-prop-2-enoxypropan-2-yl]oxyoxane?
2-[1,3-bis(prop-2-enoxy)propan-2-yloxy]oxane;2-[1-(oxiran-2-ylmethoxy)-3-prop-2-enoxypropan-2-yl]oxyoxane has a molecular weight of 528.68 g/mol, XLogP of 3.82, 20 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-bis(prop-2-enoxy)propan-2-yloxy]oxane;2-[1-(oxiran-2-ylmethoxy)-3-prop-2-enoxypropan-2-yl]oxyoxane is sourced from PubChem (CID 160594356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).