(E)-6-methyl-8-(oxan-2-yloxy)oct-6-en-3-one

C14H24O3 — CID 11791314

IUPAC(E)-6-methyl-8-(oxan-2-yloxy)oct-6-en-3-one
SMILESCCC(=O)CC/C(C)=C/COC1CCCCO1
InChIInChI=1S/C14H24O3/c1-3-13(15)8-7-12(2)9-11-17-14-6-4-5-10-16-14/h9,14H,3-8,10-11H2,1-2H3/b12-9+
InChIKeyYMNCBDFRYZWAQW-FMIVXFBMSA-N
MW240.34 g/mol
LogP3.24
Rot. Bonds7

About (E)-6-methyl-8-(oxan-2-yloxy)oct-6-en-3-one

(E)-6-methyl-8-(oxan-2-yloxy)oct-6-en-3-one (PubChem CID 11791314) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is (E)-6-methyl-8-(oxan-2-yloxy)oct-6-en-3-one.

Molecular Properties

Compound Name(E)-6-methyl-8-(oxan-2-yloxy)oct-6-en-3-one
PubChem CID11791314
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name(E)-6-methyl-8-(oxan-2-yloxy)oct-6-en-3-one
SMILESCCC(=O)CC/C(C)=C/COC1CCCCO1
InChIInChI=1S/C14H24O3/c1-3-13(15)8-7-12(2)9-11-17-14-6-4-5-10-16-14/h9,14H,3-8,10-11H2,1-2H3/b12-9+
InChIKeyYMNCBDFRYZWAQW-FMIVXFBMSA-N
XLogP3.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.24
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

ethyl (4E,8E)-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienoate
CID 14214227
(5E,9E)-6,10-dimethyl-11-(oxan-2-yloxy)undeca-5,9-dien-2-one
CID 10085835
4-Methyl-6-(tetrahydropyran-2-yloxy)hex-4-enal
CID 5367936
(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-yn-4-one
CID 15726399
(E)-7-(oxan-2-yloxy)hept-5-en-2-one
CID 10632332
(5E,9E)-6,10-dimethyl-13-(oxan-2-yloxy)trideca-5,9-dien-2-one
CID 12000504
(2E)-3,7,11-trimethyl-1-(oxan-2-yloxy)dodeca-2,10-dien-5-one
CID 15765002
3-methyl-4-[(E)-4-(oxan-2-yloxy)but-2-enyl]cyclobut-3-ene-1,2-dione
CID 134993365
(2E,6E,10E)-3,7,11,15-tetramethyl-1-(oxan-2-yloxy)hexadeca-2,6,10,14-tetraen-5-one
CID 10894404
4-Methyl-6-(oxan-2-yloxy)hex-4-enal
CID 559017
(E,E)-4,8-Dimethyl-10-[(tetrahydro-2H-pyran-2-yl)oxy]-4,8-decadienal
CID 14039070
(6E,10E)-6,10-dimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-one
CID 15726397

Frequently Asked Questions

What is the IUPAC name of (E)-6-methyl-8-(oxan-2-yloxy)oct-6-en-3-one?
The IUPAC name of (E)-6-methyl-8-(oxan-2-yloxy)oct-6-en-3-one (CID 11791314) is (E)-6-methyl-8-(oxan-2-yloxy)oct-6-en-3-one.
What is the SMILES notation for (E)-6-methyl-8-(oxan-2-yloxy)oct-6-en-3-one?
The canonical SMILES for (E)-6-methyl-8-(oxan-2-yloxy)oct-6-en-3-one is CCC(=O)CC/C(C)=C/COC1CCCCO1.
What is the InChIKey of (E)-6-methyl-8-(oxan-2-yloxy)oct-6-en-3-one?
The InChIKey is YMNCBDFRYZWAQW-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H24O3/c1-3-13(15)8-7-12(2)9-11-17-14-6-4-5-10-16-14/h9,14H,3-8,10-11H2,1-2H3/b12-9+.
What are the key properties of (E)-6-methyl-8-(oxan-2-yloxy)oct-6-en-3-one?
(E)-6-methyl-8-(oxan-2-yloxy)oct-6-en-3-one has a molecular weight of 240.34 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-methyl-8-(oxan-2-yloxy)oct-6-en-3-one is sourced from PubChem (CID 11791314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).