2-[1,3-bis(but-3-enoxy)propan-2-yloxy]oxane

C16H28O4 — CID 177262162

IUPAC2-[1,3-bis(but-3-enoxy)propan-2-yloxy]oxane
SMILESC=CCCOCC(COCCC=C)OC1CCCCO1
InChIInChI=1S/C16H28O4/c1-3-5-10-17-13-15(14-18-11-6-4-2)20-16-9-7-8-12-19-16/h3-4,15-16H,1-2,5-14H2
InChIKeyYDFUYBDNHNITOF-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.08
Rot. Bonds12

About 2-[1,3-bis(but-3-enoxy)propan-2-yloxy]oxane

2-[1,3-bis(but-3-enoxy)propan-2-yloxy]oxane (PubChem CID 177262162) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[1,3-bis(but-3-enoxy)propan-2-yloxy]oxane.

Molecular Properties

Compound Name2-[1,3-bis(but-3-enoxy)propan-2-yloxy]oxane
PubChem CID177262162
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Name2-[1,3-bis(but-3-enoxy)propan-2-yloxy]oxane
SMILESC=CCCOCC(COCCC=C)OC1CCCCO1
InChIInChI=1S/C16H28O4/c1-3-5-10-17-13-15(14-18-11-6-4-2)20-16-9-7-8-12-19-16/h3-4,15-16H,1-2,5-14H2
InChIKeyYDFUYBDNHNITOF-UHFFFAOYSA-N
XLogP3.08
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
1-methanidyloxy-3-[2-(oxan-2-yloxy)-3-prop-2-enoxypropoxy]propan-2-ol;methanol;bis(rutherfordium)
CID 177273983
3-(oxan-2-yloxy)-4-propoxybutan-1-amine
CID 23468125
3-(oxan-2-yloxy)oct-7-enenitrile
CID 23468091
(2S)-2-hept-6-en-2-yloxyoxane
CID 139755185
(2S)-2-pent-4-enoxyoxane
CID 58779863
2-[1-ethenyl-3-(oxan-2-yloxy)hex-5-enoxy]oxane
CID 139677172
1-methanidyloxy-3-[2-(oxan-2-yloxy)-3-[2-(oxan-2-yloxy)ethoxy]propoxy]propan-2-ol;methanol;rutherfordium
CID 177262177
3-[3-(2-hydroxy-3-methoxypropoxy)-2-(oxan-2-yloxy)propoxy]propanenitrile
CID 177118299
(4R)-4-(oxan-2-yloxy)nonanal
CID 54007361
2-[(2S)-but-3-en-2-yl]oxyoxane
CID 11019115
1,3-bis(2-chloroethoxy)propan-2-ol;2-[1,3-bis(2-chloroethoxy)propan-2-yloxy]oxane;3,4-dihydro-2H-pyran
CID 163495898

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-bis(but-3-enoxy)propan-2-yloxy]oxane?
The IUPAC name of 2-[1,3-bis(but-3-enoxy)propan-2-yloxy]oxane (CID 177262162) is 2-[1,3-bis(but-3-enoxy)propan-2-yloxy]oxane.
What is the SMILES notation for 2-[1,3-bis(but-3-enoxy)propan-2-yloxy]oxane?
The canonical SMILES for 2-[1,3-bis(but-3-enoxy)propan-2-yloxy]oxane is C=CCCOCC(COCCC=C)OC1CCCCO1.
What is the InChIKey of 2-[1,3-bis(but-3-enoxy)propan-2-yloxy]oxane?
The InChIKey is YDFUYBDNHNITOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4/c1-3-5-10-17-13-15(14-18-11-6-4-2)20-16-9-7-8-12-19-16/h3-4,15-16H,1-2,5-14H2.
What are the key properties of 2-[1,3-bis(but-3-enoxy)propan-2-yloxy]oxane?
2-[1,3-bis(but-3-enoxy)propan-2-yloxy]oxane has a molecular weight of 284.40 g/mol, XLogP of 3.08, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-bis(but-3-enoxy)propan-2-yloxy]oxane is sourced from PubChem (CID 177262162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).