(2R)-2-[(Z)-tridec-9-en-5-ynoxy]oxane

C18H30O2 — CID 125486244

IUPAC(2R)-2-[(Z)-tridec-9-en-5-ynoxy]oxane
SMILESCCC/C=C\CCC#CCCCCO[C@@H]1CCCCO1
InChIInChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-18-15-12-14-17-20-18/h4-5,18H,2-3,6-7,10-17H2,1H3/b5-4-/t18-/m0/s1
InChIKeyXIBHJHSISHYMMZ-XDXAGZTOSA-N
MW278.44 g/mol
LogP4.84
Rot. Bonds9

About (2R)-2-[(Z)-tridec-9-en-5-ynoxy]oxane

(2R)-2-[(Z)-tridec-9-en-5-ynoxy]oxane (PubChem CID 125486244) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is (2R)-2-[(Z)-tridec-9-en-5-ynoxy]oxane.

Molecular Properties

Compound Name(2R)-2-[(Z)-tridec-9-en-5-ynoxy]oxane
PubChem CID125486244
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name(2R)-2-[(Z)-tridec-9-en-5-ynoxy]oxane
SMILESCCC/C=C\CCC#CCCCCO[C@@H]1CCCCO1
InChIInChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-18-15-12-14-17-20-18/h4-5,18H,2-3,6-7,10-17H2,1H3/b5-4-/t18-/m0/s1
InChIKeyXIBHJHSISHYMMZ-XDXAGZTOSA-N
XLogP4.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.84
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

(2S)-2-tridec-6-ynoxyoxane
CID 124565996
2-heptadec-13-ynoxyoxane
CID 11099777
(2S)-2-[(5Z,9Z)-trideca-5,9-dienoxy]oxane
CID 125486039
2-hexadeca-6,12-diynoxyoxane
CID 163386043
2-[10-(oxan-2-yloxy)dec-5-ynoxy]oxane
CID 86101996
2-(13,13,14,14-tetradeuteriohexadec-8-ynoxy)oxane
CID 71479982
(2R)-2-[(E)-dodec-5-enoxy]oxane
CID 125486255
2-[(6Z,12Z)-octadeca-6,12-dienoxy]oxane
CID 163386037
2-[(3Z,5E)-nona-3,5-dienoxy]oxane
CID 177457132
2-[(Z)-pentadec-6-en-3-ynoxy]oxane
CID 10018056
8-(oxan-2-yloxy)oct-2-yn-1-ol
CID 20521626
1-bromopentane;2-dodeca-5,11-diynoxyoxane;octa-1,7-diyne
CID 161441664

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(Z)-tridec-9-en-5-ynoxy]oxane?
The IUPAC name of (2R)-2-[(Z)-tridec-9-en-5-ynoxy]oxane (CID 125486244) is (2R)-2-[(Z)-tridec-9-en-5-ynoxy]oxane.
What is the SMILES notation for (2R)-2-[(Z)-tridec-9-en-5-ynoxy]oxane?
The canonical SMILES for (2R)-2-[(Z)-tridec-9-en-5-ynoxy]oxane is CCC/C=C\CCC#CCCCCO[C@@H]1CCCCO1.
What is the InChIKey of (2R)-2-[(Z)-tridec-9-en-5-ynoxy]oxane?
The InChIKey is XIBHJHSISHYMMZ-XDXAGZTOSA-N. The full InChI is InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-18-15-12-14-17-20-18/h4-5,18H,2-3,6-7,10-17H2,1H3/b5-4-/t18-/m0/s1.
What are the key properties of (2R)-2-[(Z)-tridec-9-en-5-ynoxy]oxane?
(2R)-2-[(Z)-tridec-9-en-5-ynoxy]oxane has a molecular weight of 278.44 g/mol, XLogP of 4.84, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(Z)-tridec-9-en-5-ynoxy]oxane is sourced from PubChem (CID 125486244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).