2-[2-[(Z)-4-prop-2-ynoxybut-2-enoxy]ethoxy]oxane

C14H22O4 — CID 155068194

IUPAC2-[2-[(Z)-4-prop-2-ynoxybut-2-enoxy]ethoxy]oxane
SMILESC#CCOC/C=C\COCCOC1CCCCO1
InChIInChI=1S/C14H22O4/c1-2-8-15-9-5-6-10-16-12-13-18-14-7-3-4-11-17-14/h1,5-6,14H,3-4,7-13H2/b6-5-
InChIKeyHRNYSGULURYHQT-WAYWQWQTSA-N
MW254.33 g/mol
LogP1.75
Rot. Bonds9

About 2-[2-[(Z)-4-prop-2-ynoxybut-2-enoxy]ethoxy]oxane

2-[2-[(Z)-4-prop-2-ynoxybut-2-enoxy]ethoxy]oxane (PubChem CID 155068194) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[2-[(Z)-4-prop-2-ynoxybut-2-enoxy]ethoxy]oxane.

Molecular Properties

Compound Name2-[2-[(Z)-4-prop-2-ynoxybut-2-enoxy]ethoxy]oxane
PubChem CID155068194
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name2-[2-[(Z)-4-prop-2-ynoxybut-2-enoxy]ethoxy]oxane
SMILESC#CCOC/C=C\COCCOC1CCCCO1
InChIInChI=1S/C14H22O4/c1-2-8-15-9-5-6-10-16-12-13-18-14-7-3-4-11-17-14/h1,5-6,14H,3-4,7-13H2/b6-5-
InChIKeyHRNYSGULURYHQT-WAYWQWQTSA-N
XLogP1.75
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.75
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103519
2-[(E)-but-2-enoxy]oxane
CID 11788432
2-[(E)-2-methylpent-2-en-4-ynoxy]oxane
CID 10583524
2-[(2E)-2-penten-4-ynyloxy]tetrahydro-2H-pyran
CID 11030189
copper(1+);2-[(E)-pent-2-en-4-ynoxy]oxane
CID 127262300
2-[(E)-2-but-3-ynoxy-4-[(E)-3-methoxyprop-1-enoxy]but-2-enoxy]oxane
CID 135074960
2-[(Z)-2-methoxypent-2-en-4-ynoxy]oxane
CID 139265701
2-[(Z)-2-butyltellanylpent-2-en-4-ynoxy]oxane
CID 139265703
2-But-2-enoxyoxane
CID 11744943
2-[(Z)-pent-2-en-4-ynoxy]oxane
CID 13830318
2-(2-But-2-enoxyethoxy)oxane
CID 57125632
2-[(Pent-2-en-4-yn-1-yl)oxy]oxane
CID 71366462

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(Z)-4-prop-2-ynoxybut-2-enoxy]ethoxy]oxane?
The IUPAC name of 2-[2-[(Z)-4-prop-2-ynoxybut-2-enoxy]ethoxy]oxane (CID 155068194) is 2-[2-[(Z)-4-prop-2-ynoxybut-2-enoxy]ethoxy]oxane.
What is the SMILES notation for 2-[2-[(Z)-4-prop-2-ynoxybut-2-enoxy]ethoxy]oxane?
The canonical SMILES for 2-[2-[(Z)-4-prop-2-ynoxybut-2-enoxy]ethoxy]oxane is C#CCOC/C=C\COCCOC1CCCCO1.
What is the InChIKey of 2-[2-[(Z)-4-prop-2-ynoxybut-2-enoxy]ethoxy]oxane?
The InChIKey is HRNYSGULURYHQT-WAYWQWQTSA-N. The full InChI is InChI=1S/C14H22O4/c1-2-8-15-9-5-6-10-16-12-13-18-14-7-3-4-11-17-14/h1,5-6,14H,3-4,7-13H2/b6-5-.
What are the key properties of 2-[2-[(Z)-4-prop-2-ynoxybut-2-enoxy]ethoxy]oxane?
2-[2-[(Z)-4-prop-2-ynoxybut-2-enoxy]ethoxy]oxane has a molecular weight of 254.33 g/mol, XLogP of 1.75, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(Z)-4-prop-2-ynoxybut-2-enoxy]ethoxy]oxane is sourced from PubChem (CID 155068194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).