2-[1-ethenyl-3-(oxan-2-yloxy)hex-5-enoxy]oxane

C18H30O4 — CID 139677172

IUPAC2-[1-ethenyl-3-(oxan-2-yloxy)hex-5-enoxy]oxane
SMILESC=CCC(CC(C=C)OC1CCCCO1)OC1CCCCO1
InChIInChI=1S/C18H30O4/c1-3-9-16(22-18-11-6-8-13-20-18)14-15(4-2)21-17-10-5-7-12-19-17/h3-4,15-18H,1-2,5-14H2
InChIKeyJHWJPPCQNVEROR-UHFFFAOYSA-N
MW310.43 g/mol
LogP3.96
Rot. Bonds9

About 2-[1-ethenyl-3-(oxan-2-yloxy)hex-5-enoxy]oxane

2-[1-ethenyl-3-(oxan-2-yloxy)hex-5-enoxy]oxane (PubChem CID 139677172) has the molecular formula C18H30O4 and a molecular weight of 310.43 g/mol. Its IUPAC name is 2-[1-ethenyl-3-(oxan-2-yloxy)hex-5-enoxy]oxane.

Molecular Properties

Compound Name2-[1-ethenyl-3-(oxan-2-yloxy)hex-5-enoxy]oxane
PubChem CID139677172
Molecular FormulaC18H30O4
Molecular Weight310.43 g/mol
Exact Mass310.21
IUPAC Name2-[1-ethenyl-3-(oxan-2-yloxy)hex-5-enoxy]oxane
SMILESC=CCC(CC(C=C)OC1CCCCO1)OC1CCCCO1
InChIInChI=1S/C18H30O4/c1-3-9-16(22-18-11-6-8-13-20-18)14-15(4-2)21-17-10-5-7-12-19-17/h3-4,15-18H,1-2,5-14H2
InChIKeyJHWJPPCQNVEROR-UHFFFAOYSA-N
XLogP3.96
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hept-1-en-3-yloxyoxane
CID 20796050
2-oct-1-en-3-yloxyoxane
CID 10727282
2-[1,3-bis(but-3-enoxy)propan-2-yloxy]oxane
CID 177262162
2-[(2S)-but-3-en-2-yl]oxyoxane
CID 11019115
2-[2-hydroxy-4-(oxan-2-yloxy)hept-6-enyl]pyran-4-one
CID 10892205
2-(1-diethoxyphosphorylbut-3-enoxy)oxane
CID 11335314
2-(1-cyclohexylprop-2-enoxy)oxane
CID 54027830
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
(5R)-5-(oxan-2-yloxy)undec-1-en-3-ol
CID 11832481
3-(oxan-2-yloxy)oct-7-enenitrile
CID 23468091
(2S)-2-hept-6-en-2-yloxyoxane
CID 139755185
2-(1,4-dibromobutan-2-yloxy)oxane
CID 15067929

Frequently Asked Questions

What is the IUPAC name of 2-[1-ethenyl-3-(oxan-2-yloxy)hex-5-enoxy]oxane?
The IUPAC name of 2-[1-ethenyl-3-(oxan-2-yloxy)hex-5-enoxy]oxane (CID 139677172) is 2-[1-ethenyl-3-(oxan-2-yloxy)hex-5-enoxy]oxane.
What is the SMILES notation for 2-[1-ethenyl-3-(oxan-2-yloxy)hex-5-enoxy]oxane?
The canonical SMILES for 2-[1-ethenyl-3-(oxan-2-yloxy)hex-5-enoxy]oxane is C=CCC(CC(C=C)OC1CCCCO1)OC1CCCCO1.
What is the InChIKey of 2-[1-ethenyl-3-(oxan-2-yloxy)hex-5-enoxy]oxane?
The InChIKey is JHWJPPCQNVEROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O4/c1-3-9-16(22-18-11-6-8-13-20-18)14-15(4-2)21-17-10-5-7-12-19-17/h3-4,15-18H,1-2,5-14H2.
What are the key properties of 2-[1-ethenyl-3-(oxan-2-yloxy)hex-5-enoxy]oxane?
2-[1-ethenyl-3-(oxan-2-yloxy)hex-5-enoxy]oxane has a molecular weight of 310.43 g/mol, XLogP of 3.96, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-ethenyl-3-(oxan-2-yloxy)hex-5-enoxy]oxane is sourced from PubChem (CID 139677172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).