1-prop-2-enoxy-4-(4-prop-2-enoxybut-2-ynoxy)but-2-yne

C14H18O3 — CID 10752161

IUPAC1-prop-2-enoxy-4-(4-prop-2-enoxybut-2-ynoxy)but-2-yne
SMILESC=CCOCC#CCOCC#CCOCC=C
InChIInChI=1S/C14H18O3/c1-3-9-15-11-5-7-13-17-14-8-6-12-16-10-4-2/h3-4H,1-2,9-14H2
InChIKeyBNXVHLJOJJLCJV-UHFFFAOYSA-N
MW234.29 g/mol
LogP1.41
Rot. Bonds8

About 1-prop-2-enoxy-4-(4-prop-2-enoxybut-2-ynoxy)but-2-yne

1-prop-2-enoxy-4-(4-prop-2-enoxybut-2-ynoxy)but-2-yne (PubChem CID 10752161) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 1-prop-2-enoxy-4-(4-prop-2-enoxybut-2-ynoxy)but-2-yne.

Molecular Properties

Compound Name1-prop-2-enoxy-4-(4-prop-2-enoxybut-2-ynoxy)but-2-yne
PubChem CID10752161
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name1-prop-2-enoxy-4-(4-prop-2-enoxybut-2-ynoxy)but-2-yne
SMILESC=CCOCC#CCOCC#CCOCC=C
InChIInChI=1S/C14H18O3/c1-3-9-15-11-5-7-13-17-14-8-6-12-16-10-4-2/h3-4H,1-2,9-14H2
InChIKeyBNXVHLJOJJLCJV-UHFFFAOYSA-N
XLogP1.41
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoxy-4-(4-prop-2-enoxybut-2-ynoxy)but-2-yne?
The IUPAC name of 1-prop-2-enoxy-4-(4-prop-2-enoxybut-2-ynoxy)but-2-yne (CID 10752161) is 1-prop-2-enoxy-4-(4-prop-2-enoxybut-2-ynoxy)but-2-yne.
What is the SMILES notation for 1-prop-2-enoxy-4-(4-prop-2-enoxybut-2-ynoxy)but-2-yne?
The canonical SMILES for 1-prop-2-enoxy-4-(4-prop-2-enoxybut-2-ynoxy)but-2-yne is C=CCOCC#CCOCC#CCOCC=C.
What is the InChIKey of 1-prop-2-enoxy-4-(4-prop-2-enoxybut-2-ynoxy)but-2-yne?
The InChIKey is BNXVHLJOJJLCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-3-9-15-11-5-7-13-17-14-8-6-12-16-10-4-2/h3-4H,1-2,9-14H2.
What are the key properties of 1-prop-2-enoxy-4-(4-prop-2-enoxybut-2-ynoxy)but-2-yne?
1-prop-2-enoxy-4-(4-prop-2-enoxybut-2-ynoxy)but-2-yne has a molecular weight of 234.29 g/mol, XLogP of 1.41, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxy-4-(4-prop-2-enoxybut-2-ynoxy)but-2-yne is sourced from PubChem (CID 10752161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).