(E)-7-(oxan-2-yloxy)hept-5-en-2-one

C12H20O3 — CID 10632332

IUPAC(E)-7-(oxan-2-yloxy)hept-5-en-2-one
SMILESCC(=O)CC/C=C/COC1CCCCO1
InChIInChI=1S/C12H20O3/c1-11(13)7-3-2-5-9-14-12-8-4-6-10-15-12/h2,5,12H,3-4,6-10H2,1H3/b5-2+
InChIKeyUMNYTKOOCVLRSA-GORDUTHDSA-N
MW212.29 g/mol
LogP2.45
Rot. Bonds6

About (E)-7-(oxan-2-yloxy)hept-5-en-2-one

(E)-7-(oxan-2-yloxy)hept-5-en-2-one (PubChem CID 10632332) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is (E)-7-(oxan-2-yloxy)hept-5-en-2-one.

Molecular Properties

Compound Name(E)-7-(oxan-2-yloxy)hept-5-en-2-one
PubChem CID10632332
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name(E)-7-(oxan-2-yloxy)hept-5-en-2-one
SMILESCC(=O)CC/C=C/COC1CCCCO1
InChIInChI=1S/C12H20O3/c1-11(13)7-3-2-5-9-14-12-8-4-6-10-15-12/h2,5,12H,3-4,6-10H2,1H3/b5-2+
InChIKeyUMNYTKOOCVLRSA-GORDUTHDSA-N
XLogP2.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (Z)-6-(oxan-2-yloxy)hex-4-enoate
CID 11310730
2-[(E)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103518
(Z)-9-(oxan-2-yloxy)non-7-enoic acid
CID 71310420
2-[(E)-hept-2-enoxy]oxane
CID 12861157
(2R)-2-[(E)-5-bromopent-2-enoxy]oxane
CID 125476035
2-[(E)-5-iodopent-2-enoxy]oxane
CID 12871483
2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane
CID 14026777
(E)-2,12-bis(oxan-2-yloxy)dodec-10-en-6-one
CID 102126737
2-[(E)-hept-2-en-6-ynoxy]oxane
CID 14728076
13-[(2S)-oxan-2-yl]oxytridecan-2-one
CID 129363277
ethyl (Z)-4-[(2R)-oxan-2-yl]oxybut-2-enoate
CID 129386524
2-but-2-enoxyoxolane
CID 86088707

Frequently Asked Questions

What is the IUPAC name of (E)-7-(oxan-2-yloxy)hept-5-en-2-one?
The IUPAC name of (E)-7-(oxan-2-yloxy)hept-5-en-2-one (CID 10632332) is (E)-7-(oxan-2-yloxy)hept-5-en-2-one.
What is the SMILES notation for (E)-7-(oxan-2-yloxy)hept-5-en-2-one?
The canonical SMILES for (E)-7-(oxan-2-yloxy)hept-5-en-2-one is CC(=O)CC/C=C/COC1CCCCO1.
What is the InChIKey of (E)-7-(oxan-2-yloxy)hept-5-en-2-one?
The InChIKey is UMNYTKOOCVLRSA-GORDUTHDSA-N. The full InChI is InChI=1S/C12H20O3/c1-11(13)7-3-2-5-9-14-12-8-4-6-10-15-12/h2,5,12H,3-4,6-10H2,1H3/b5-2+.
What are the key properties of (E)-7-(oxan-2-yloxy)hept-5-en-2-one?
(E)-7-(oxan-2-yloxy)hept-5-en-2-one has a molecular weight of 212.29 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-(oxan-2-yloxy)hept-5-en-2-one is sourced from PubChem (CID 10632332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).