6-[2-(4-oxohex-5-enoxy)ethoxy]hex-1-en-3-one

C14H22O4 — CID 23591517

IUPAC6-[2-(4-oxohex-5-enoxy)ethoxy]hex-1-en-3-one
SMILESC=CC(=O)CCCOCCOCCCC(=O)C=C
InChIInChI=1S/C14H22O4/c1-3-13(15)7-5-9-17-11-12-18-10-6-8-14(16)4-2/h3-4H,1-2,5-12H2
InChIKeyNPZHRRUODJTQET-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.09
Rot. Bonds13

About 6-[2-(4-oxohex-5-enoxy)ethoxy]hex-1-en-3-one

6-[2-(4-oxohex-5-enoxy)ethoxy]hex-1-en-3-one (PubChem CID 23591517) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 6-[2-(4-oxohex-5-enoxy)ethoxy]hex-1-en-3-one.

Molecular Properties

Compound Name6-[2-(4-oxohex-5-enoxy)ethoxy]hex-1-en-3-one
PubChem CID23591517
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name6-[2-(4-oxohex-5-enoxy)ethoxy]hex-1-en-3-one
SMILESC=CC(=O)CCCOCCOCCCC(=O)C=C
InChIInChI=1S/C14H22O4/c1-3-13(15)7-5-9-17-11-12-18-10-6-8-14(16)4-2/h3-4H,1-2,5-12H2
InChIKeyNPZHRRUODJTQET-UHFFFAOYSA-N
XLogP2.09
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.09
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

6-Ethoxyhex-1-en-3-one
CID 20675034
(9E,15E)-1,4-dioxacycloicosa-9,15-diene-8,17-dione
CID 10193184
(9E,14E)-1,4-dioxacyclononadeca-9,14-diene-8,16-dione
CID 10308363
6-Propoxyhex-1-en-3-one
CID 57272050
6-(4-Oxohex-5-enoxy)hex-1-en-3-one
CID 57316280
6-Propan-2-yloxyhex-1-en-3-one
CID 58298916
7-[2-[2-(5-Oxohept-6-enoxy)ethoxy]ethoxy]hept-1-en-3-one
CID 58402340
7-[2-(2-Pentoxyethoxy)ethoxy]hept-1-en-3-one
CID 58427487
6-(3-Methoxypropoxy)hex-1-en-3-one
CID 58846844
6-[2,3-Bis(4-oxohex-5-enoxy)-2-(4-oxohex-5-enoxymethyl)propoxy]hex-1-en-3-one
CID 59994909
6-(Oxiran-2-ylmethoxy)hex-1-en-3-one
CID 89335118
2-[2-(4-Oxohex-5-enoyloxy)ethoxy]ethyl 4-oxohex-5-enoate
CID 123749600

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-oxohex-5-enoxy)ethoxy]hex-1-en-3-one?
The IUPAC name of 6-[2-(4-oxohex-5-enoxy)ethoxy]hex-1-en-3-one (CID 23591517) is 6-[2-(4-oxohex-5-enoxy)ethoxy]hex-1-en-3-one.
What is the SMILES notation for 6-[2-(4-oxohex-5-enoxy)ethoxy]hex-1-en-3-one?
The canonical SMILES for 6-[2-(4-oxohex-5-enoxy)ethoxy]hex-1-en-3-one is C=CC(=O)CCCOCCOCCCC(=O)C=C.
What is the InChIKey of 6-[2-(4-oxohex-5-enoxy)ethoxy]hex-1-en-3-one?
The InChIKey is NPZHRRUODJTQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-3-13(15)7-5-9-17-11-12-18-10-6-8-14(16)4-2/h3-4H,1-2,5-12H2.
What are the key properties of 6-[2-(4-oxohex-5-enoxy)ethoxy]hex-1-en-3-one?
6-[2-(4-oxohex-5-enoxy)ethoxy]hex-1-en-3-one has a molecular weight of 254.33 g/mol, XLogP of 2.09, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-oxohex-5-enoxy)ethoxy]hex-1-en-3-one is sourced from PubChem (CID 23591517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).