2-[(Z)-pentadec-6-en-3-ynoxy]oxane

C20H34O2 — CID 10018056

IUPAC2-[(Z)-pentadec-6-en-3-ynoxy]oxane
SMILESCCCCCCCC/C=C\CC#CCCOC1CCCCO1
InChIInChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-20-17-14-16-19-22-20/h9-10,20H,2-8,11,14-19H2,1H3/b10-9-
InChIKeyNQCNUIUSJFTGIL-KTKRTIGZSA-N
MW306.49 g/mol
LogP5.62
Rot. Bonds11

About 2-[(Z)-pentadec-6-en-3-ynoxy]oxane

2-[(Z)-pentadec-6-en-3-ynoxy]oxane (PubChem CID 10018056) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is 2-[(Z)-pentadec-6-en-3-ynoxy]oxane.

Molecular Properties

Compound Name2-[(Z)-pentadec-6-en-3-ynoxy]oxane
PubChem CID10018056
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name2-[(Z)-pentadec-6-en-3-ynoxy]oxane
SMILESCCCCCCCC/C=C\CC#CCCOC1CCCCO1
InChIInChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-20-17-14-16-19-22-20/h9-10,20H,2-8,11,14-19H2,1H3/b10-9-
InChIKeyNQCNUIUSJFTGIL-KTKRTIGZSA-N
XLogP5.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(2R)-2-[(E)-dodec-5-enoxy]oxane
CID 125486255
2-[(6Z,12Z)-octadeca-6,12-dienoxy]oxane
CID 163386037
2-[(E)-dec-3-enoxy]oxane
CID 15649194
2-[(E)-undec-2-en-5-ynoxy]oxane
CID 134976144
(2S)-2-tridec-6-ynoxyoxane
CID 124565996
(2S)-2-[(5Z,9Z)-trideca-5,9-dienoxy]oxane
CID 125486039
(2R)-2-[(Z)-tridec-9-en-5-ynoxy]oxane
CID 125486244
2-octacosoxyoxane
CID 11214102
2-[(E)-hept-2-enoxy]oxane
CID 12861157
2-heptadec-13-ynoxyoxane
CID 11099777
2-hexadeca-6,12-diynoxyoxane
CID 163386043
2-[(E)-11-iodoundec-10-enoxy]oxane
CID 11280429

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-pentadec-6-en-3-ynoxy]oxane?
The IUPAC name of 2-[(Z)-pentadec-6-en-3-ynoxy]oxane (CID 10018056) is 2-[(Z)-pentadec-6-en-3-ynoxy]oxane.
What is the SMILES notation for 2-[(Z)-pentadec-6-en-3-ynoxy]oxane?
The canonical SMILES for 2-[(Z)-pentadec-6-en-3-ynoxy]oxane is CCCCCCCC/C=C\CC#CCCOC1CCCCO1.
What is the InChIKey of 2-[(Z)-pentadec-6-en-3-ynoxy]oxane?
The InChIKey is NQCNUIUSJFTGIL-KTKRTIGZSA-N. The full InChI is InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-20-17-14-16-19-22-20/h9-10,20H,2-8,11,14-19H2,1H3/b10-9-.
What are the key properties of 2-[(Z)-pentadec-6-en-3-ynoxy]oxane?
2-[(Z)-pentadec-6-en-3-ynoxy]oxane has a molecular weight of 306.49 g/mol, XLogP of 5.62, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-pentadec-6-en-3-ynoxy]oxane is sourced from PubChem (CID 10018056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).