methyl (E)-8-(oxan-2-yloxy)oct-2-enoate

C14H24O4 — CID 14937208

IUPACmethyl (E)-8-(oxan-2-yloxy)oct-2-enoate
SMILESCOC(=O)/C=C/CCCCCOC1CCCCO1
InChIInChI=1S/C14H24O4/c1-16-13(15)9-5-3-2-4-7-11-17-14-10-6-8-12-18-14/h5,9,14H,2-4,6-8,10-12H2,1H3/b9-5+
InChIKeyHFXYAEXECOXNHA-WEVVVXLNSA-N
MW256.34 g/mol
LogP2.82
Rot. Bonds8

About methyl (E)-8-(oxan-2-yloxy)oct-2-enoate

methyl (E)-8-(oxan-2-yloxy)oct-2-enoate (PubChem CID 14937208) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is methyl (E)-8-(oxan-2-yloxy)oct-2-enoate.

Molecular Properties

Compound Namemethyl (E)-8-(oxan-2-yloxy)oct-2-enoate
PubChem CID14937208
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Namemethyl (E)-8-(oxan-2-yloxy)oct-2-enoate
SMILESCOC(=O)/C=C/CCCCCOC1CCCCO1
InChIInChI=1S/C14H24O4/c1-16-13(15)9-5-3-2-4-7-11-17-14-10-6-8-12-18-14/h5,9,14H,2-4,6-8,10-12H2,1H3/b9-5+
InChIKeyHFXYAEXECOXNHA-WEVVVXLNSA-N
XLogP2.82
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-14-(oxan-2-yloxy)tetradec-2-enoic acid
CID 71244577
methyl (E,6S)-6-methyl-8-(oxan-2-yloxy)oct-2-enoate
CID 11977271
methyl (E,11R)-11-(oxan-2-yloxy)dodec-2-enoate
CID 10638872
(E)-17-(oxan-2-yloxy)-N-[(1R,2S)-2-[[(E)-17-(oxan-2-yloxy)heptadec-2-enoyl]amino]cyclopropyl]heptadec-2-enamide
CID 90381690
11-(oxan-2-yloxy)-N-[3-[11-(oxan-2-yloxy)undec-2-enoylamino]cyclopentyl]undec-2-enamide
CID 78045854
18-(oxan-2-yloxy)-N-[(1S,3R)-3-[18-(oxan-2-yloxy)octadec-2-enoylamino]cyclopentyl]octadec-2-enamide
CID 123842235
2-[(E)-11-iodoundec-10-enoxy]oxane
CID 11280429
(2R)-2-[(E)-dodec-5-enoxy]oxane
CID 125486255
2-[(6Z,12Z)-octadeca-6,12-dienoxy]oxane
CID 163386037
(5Z,14Z)-19-(oxan-2-yloxy)nonadeca-5,14-dien-1-ol
CID 153316547
ethyl (E)-5-(oxan-2-yloxy)pent-2-enoate
CID 15839787
methyl 6-(oxan-2-yloxy)hexanoate
CID 10955377

Frequently Asked Questions

What is the IUPAC name of methyl (E)-8-(oxan-2-yloxy)oct-2-enoate?
The IUPAC name of methyl (E)-8-(oxan-2-yloxy)oct-2-enoate (CID 14937208) is methyl (E)-8-(oxan-2-yloxy)oct-2-enoate.
What is the SMILES notation for methyl (E)-8-(oxan-2-yloxy)oct-2-enoate?
The canonical SMILES for methyl (E)-8-(oxan-2-yloxy)oct-2-enoate is COC(=O)/C=C/CCCCCOC1CCCCO1.
What is the InChIKey of methyl (E)-8-(oxan-2-yloxy)oct-2-enoate?
The InChIKey is HFXYAEXECOXNHA-WEVVVXLNSA-N. The full InChI is InChI=1S/C14H24O4/c1-16-13(15)9-5-3-2-4-7-11-17-14-10-6-8-12-18-14/h5,9,14H,2-4,6-8,10-12H2,1H3/b9-5+.
What are the key properties of methyl (E)-8-(oxan-2-yloxy)oct-2-enoate?
methyl (E)-8-(oxan-2-yloxy)oct-2-enoate has a molecular weight of 256.34 g/mol, XLogP of 2.82, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-8-(oxan-2-yloxy)oct-2-enoate is sourced from PubChem (CID 14937208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).