1-ethenyl-2-[3-[2-(2-propoxyethoxymethyl)but-3-enoxy]propoxy]cyclopropane

C18H32O4 — CID 57180275

IUPAC1-ethenyl-2-[3-[2-(2-propoxyethoxymethyl)but-3-enoxy]propoxy]cyclopropane
SMILESC=CC(COCCCOC1CC1C=C)COCCOCCC
InChIInChI=1S/C18H32O4/c1-4-8-19-11-12-21-15-16(5-2)14-20-9-7-10-22-18-13-17(18)6-3/h5-6,16-18H,2-4,7-15H2,1H3
InChIKeyFUUFCWDHNHLABI-UHFFFAOYSA-N
MW312.45 g/mol
LogP3.23
Rot. Bonds16

About 1-ethenyl-2-[3-[2-(2-propoxyethoxymethyl)but-3-enoxy]propoxy]cyclopropane

1-ethenyl-2-[3-[2-(2-propoxyethoxymethyl)but-3-enoxy]propoxy]cyclopropane (PubChem CID 57180275) has the molecular formula C18H32O4 and a molecular weight of 312.45 g/mol. Its IUPAC name is 1-ethenyl-2-[3-[2-(2-propoxyethoxymethyl)but-3-enoxy]propoxy]cyclopropane.

Molecular Properties

Compound Name1-ethenyl-2-[3-[2-(2-propoxyethoxymethyl)but-3-enoxy]propoxy]cyclopropane
PubChem CID57180275
Molecular FormulaC18H32O4
Molecular Weight312.45 g/mol
Exact Mass312.23
IUPAC Name1-ethenyl-2-[3-[2-(2-propoxyethoxymethyl)but-3-enoxy]propoxy]cyclopropane
SMILESC=CC(COCCCOC1CC1C=C)COCCOCCC
InChIInChI=1S/C18H32O4/c1-4-8-19-11-12-21-15-16(5-2)14-20-9-7-10-22-18-13-17(18)6-3/h5-6,16-18H,2-4,7-15H2,1H3
InChIKeyFUUFCWDHNHLABI-UHFFFAOYSA-N
XLogP3.23
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 53.23
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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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-[3-[2-(2-propoxyethoxymethyl)but-3-enoxy]propoxy]cyclopropane?
The IUPAC name of 1-ethenyl-2-[3-[2-(2-propoxyethoxymethyl)but-3-enoxy]propoxy]cyclopropane (CID 57180275) is 1-ethenyl-2-[3-[2-(2-propoxyethoxymethyl)but-3-enoxy]propoxy]cyclopropane.
What is the SMILES notation for 1-ethenyl-2-[3-[2-(2-propoxyethoxymethyl)but-3-enoxy]propoxy]cyclopropane?
The canonical SMILES for 1-ethenyl-2-[3-[2-(2-propoxyethoxymethyl)but-3-enoxy]propoxy]cyclopropane is C=CC(COCCCOC1CC1C=C)COCCOCCC.
What is the InChIKey of 1-ethenyl-2-[3-[2-(2-propoxyethoxymethyl)but-3-enoxy]propoxy]cyclopropane?
The InChIKey is FUUFCWDHNHLABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O4/c1-4-8-19-11-12-21-15-16(5-2)14-20-9-7-10-22-18-13-17(18)6-3/h5-6,16-18H,2-4,7-15H2,1H3.
What are the key properties of 1-ethenyl-2-[3-[2-(2-propoxyethoxymethyl)but-3-enoxy]propoxy]cyclopropane?
1-ethenyl-2-[3-[2-(2-propoxyethoxymethyl)but-3-enoxy]propoxy]cyclopropane has a molecular weight of 312.45 g/mol, XLogP of 3.23, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-[3-[2-(2-propoxyethoxymethyl)but-3-enoxy]propoxy]cyclopropane is sourced from PubChem (CID 57180275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).