1-ethenoxy-4-(1-prop-2-ynoxyethoxy)butane

C11H18O3 — CID 11138074

IUPAC1-ethenoxy-4-(1-prop-2-ynoxyethoxy)butane
SMILESC#CCOC(C)OCCCCOC=C
InChIInChI=1S/C11H18O3/c1-4-8-13-11(3)14-10-7-6-9-12-5-2/h1,5,11H,2,6-10H2,3H3
InChIKeyAPMMXCORRWJVNM-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.94
Rot. Bonds9

About 1-ethenoxy-4-(1-prop-2-ynoxyethoxy)butane

1-ethenoxy-4-(1-prop-2-ynoxyethoxy)butane (PubChem CID 11138074) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-ethenoxy-4-(1-prop-2-ynoxyethoxy)butane.

Molecular Properties

Compound Name1-ethenoxy-4-(1-prop-2-ynoxyethoxy)butane
PubChem CID11138074
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name1-ethenoxy-4-(1-prop-2-ynoxyethoxy)butane
SMILESC#CCOC(C)OCCCCOC=C
InChIInChI=1S/C11H18O3/c1-4-8-13-11(3)14-10-7-6-9-12-5-2/h1,5,11H,2,6-10H2,3H3
InChIKeyAPMMXCORRWJVNM-UHFFFAOYSA-N
XLogP1.94
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-4-(1-prop-2-ynoxyethoxy)butane?
The IUPAC name of 1-ethenoxy-4-(1-prop-2-ynoxyethoxy)butane (CID 11138074) is 1-ethenoxy-4-(1-prop-2-ynoxyethoxy)butane.
What is the SMILES notation for 1-ethenoxy-4-(1-prop-2-ynoxyethoxy)butane?
The canonical SMILES for 1-ethenoxy-4-(1-prop-2-ynoxyethoxy)butane is C#CCOC(C)OCCCCOC=C.
What is the InChIKey of 1-ethenoxy-4-(1-prop-2-ynoxyethoxy)butane?
The InChIKey is APMMXCORRWJVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-4-8-13-11(3)14-10-7-6-9-12-5-2/h1,5,11H,2,6-10H2,3H3.
What are the key properties of 1-ethenoxy-4-(1-prop-2-ynoxyethoxy)butane?
1-ethenoxy-4-(1-prop-2-ynoxyethoxy)butane has a molecular weight of 198.26 g/mol, XLogP of 1.94, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-4-(1-prop-2-ynoxyethoxy)butane is sourced from PubChem (CID 11138074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).