1-but-1-enoxybut-1-ene;3-prop-2-enoxyprop-1-ene

C14H24O2 — CID 173130431

IUPAC1-but-1-enoxybut-1-ene;3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC=C.CCC=COC=CCC
InChIInChI=1S/C8H14O.C6H10O/c1-3-5-7-9-8-6-4-2;1-3-5-7-6-4-2/h5-8H,3-4H2,1-2H3;3-4H,1-2,5-6H2
InChIKeyCNDBUMHJFJCPAV-UHFFFAOYSA-N
MW224.34 g/mol
LogP4.23
Rot. Bonds8

About 1-but-1-enoxybut-1-ene;3-prop-2-enoxyprop-1-ene

1-but-1-enoxybut-1-ene;3-prop-2-enoxyprop-1-ene (PubChem CID 173130431) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 1-but-1-enoxybut-1-ene;3-prop-2-enoxyprop-1-ene.

Molecular Properties

Compound Name1-but-1-enoxybut-1-ene;3-prop-2-enoxyprop-1-ene
PubChem CID173130431
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name1-but-1-enoxybut-1-ene;3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC=C.CCC=COC=CCC
InChIInChI=1S/C8H14O.C6H10O/c1-3-5-7-9-8-6-4-2;1-3-5-7-6-4-2/h5-8H,3-4H2,1-2H3;3-4H,1-2,5-6H2
InChIKeyCNDBUMHJFJCPAV-UHFFFAOYSA-N
XLogP4.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-but-1-enoxybut-1-ene;3-prop-2-enoxyprop-1-ene?
The IUPAC name of 1-but-1-enoxybut-1-ene;3-prop-2-enoxyprop-1-ene (CID 173130431) is 1-but-1-enoxybut-1-ene;3-prop-2-enoxyprop-1-ene.
What is the SMILES notation for 1-but-1-enoxybut-1-ene;3-prop-2-enoxyprop-1-ene?
The canonical SMILES for 1-but-1-enoxybut-1-ene;3-prop-2-enoxyprop-1-ene is C=CCOCC=C.CCC=COC=CCC.
What is the InChIKey of 1-but-1-enoxybut-1-ene;3-prop-2-enoxyprop-1-ene?
The InChIKey is CNDBUMHJFJCPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O.C6H10O/c1-3-5-7-9-8-6-4-2;1-3-5-7-6-4-2/h5-8H,3-4H2,1-2H3;3-4H,1-2,5-6H2.
What are the key properties of 1-but-1-enoxybut-1-ene;3-prop-2-enoxyprop-1-ene?
1-but-1-enoxybut-1-ene;3-prop-2-enoxyprop-1-ene has a molecular weight of 224.34 g/mol, XLogP of 4.23, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-enoxybut-1-ene;3-prop-2-enoxyprop-1-ene is sourced from PubChem (CID 173130431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).