oxan-2-yl (8Z,10Z)-dodeca-8,10-dienoate

C17H28O3 — CID 5367913

IUPACoxan-2-yl (8Z,10Z)-dodeca-8,10-dienoate
SMILESC/C=C\C=C/CCCCCCC(=O)OC1CCCCO1
InChIInChI=1S/C17H28O3/c1-2-3-4-5-6-7-8-9-10-13-16(18)20-17-14-11-12-15-19-17/h2-5,17H,6-15H2,1H3/b3-2-,5-4-
InChIKeyRQPMVAHKMVTKDZ-LDIADDGTSA-N
MW280.41 g/mol
LogP4.53
Rot. Bonds9

About oxan-2-yl (8Z,10Z)-dodeca-8,10-dienoate

oxan-2-yl (8Z,10Z)-dodeca-8,10-dienoate (PubChem CID 5367913) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is oxan-2-yl (8Z,10Z)-dodeca-8,10-dienoate.

Molecular Properties

Compound Nameoxan-2-yl (8Z,10Z)-dodeca-8,10-dienoate
PubChem CID5367913
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Nameoxan-2-yl (8Z,10Z)-dodeca-8,10-dienoate
SMILESC/C=C\C=C/CCCCCCC(=O)OC1CCCCO1
InChIInChI=1S/C17H28O3/c1-2-3-4-5-6-7-8-9-10-13-16(18)20-17-14-11-12-15-19-17/h2-5,17H,6-15H2,1H3/b3-2-,5-4-
InChIKeyRQPMVAHKMVTKDZ-LDIADDGTSA-N
XLogP4.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-((8E,10E)-8,10-Dodecadien-1-yloxy)tetrahydro-2H-pyran
CID 10978415
Butane dioleate
CID 129725036
2-[(8Z,10E)-dodeca-8,10-dienoxy]oxane
CID 134979907
(E)-15-(oxan-2-yloxy)pentadec-3-en-5-one
CID 13439915
ethyl (E)-10-(oxan-2-yloxy)dec-7-enoate
CID 102355071
1-(2-Tetrahydropyranyloxy)-(8e,10z)-8,10-dodecadiene
CID 129776696
ethyl (E)-10-(oxan-2-yloxy)undec-7-enoate
CID 134905044
ethyl (E)-8-methyl-11-(oxan-2-yloxy)undec-7-enoate
CID 134979779
(7z,11z)-18-(Tetrahydro-2h-pyran-2-yloxy)octadeca7,11-dienoic acid
CID 171904922
(E,E)-2-((8,10-Dodecadienyl)oxy)tetrahydro-2H-pyran
CID 6450274
methyl (E)-10-fluoro-14-(oxan-2-yloxy)tetradec-10-en-12-ynoate
CID 101110845
methyl (Z)-10-fluoro-14-(oxan-2-yloxy)tetradec-10-en-12-ynoate
CID 102271112

Frequently Asked Questions

What is the IUPAC name of oxan-2-yl (8Z,10Z)-dodeca-8,10-dienoate?
The IUPAC name of oxan-2-yl (8Z,10Z)-dodeca-8,10-dienoate (CID 5367913) is oxan-2-yl (8Z,10Z)-dodeca-8,10-dienoate.
What is the SMILES notation for oxan-2-yl (8Z,10Z)-dodeca-8,10-dienoate?
The canonical SMILES for oxan-2-yl (8Z,10Z)-dodeca-8,10-dienoate is C/C=C\C=C/CCCCCCC(=O)OC1CCCCO1.
What is the InChIKey of oxan-2-yl (8Z,10Z)-dodeca-8,10-dienoate?
The InChIKey is RQPMVAHKMVTKDZ-LDIADDGTSA-N. The full InChI is InChI=1S/C17H28O3/c1-2-3-4-5-6-7-8-9-10-13-16(18)20-17-14-11-12-15-19-17/h2-5,17H,6-15H2,1H3/b3-2-,5-4-.
What are the key properties of oxan-2-yl (8Z,10Z)-dodeca-8,10-dienoate?
oxan-2-yl (8Z,10Z)-dodeca-8,10-dienoate has a molecular weight of 280.41 g/mol, XLogP of 4.53, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-yl (8Z,10Z)-dodeca-8,10-dienoate is sourced from PubChem (CID 5367913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).