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

C19H32O6 — CID 157489834

IUPAC6-[2-[2-[2-(4-oxohex-5-enoxy)ethoxy]propan-2-yloxy]ethoxy]hex-1-en-3-one
SMILESC=CC(=O)CCCOCCOC(C)(C)OCCOCCCC(=O)C=C
InChIInChI=1S/C19H32O6/c1-5-17(20)9-7-11-22-13-15-24-19(3,4)25-16-14-23-12-8-10-18(21)6-2/h5-6H,1-2,7-16H2,3-4H3
InChIKeyBXDGWMFAJDMYDX-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.86
Rot. Bonds18

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

6-[2-[2-[2-(4-oxohex-5-enoxy)ethoxy]propan-2-yloxy]ethoxy]hex-1-en-3-one (PubChem CID 157489834) has the molecular formula C19H32O6 and a molecular weight of 356.46 g/mol. Its IUPAC name is 6-[2-[2-[2-(4-oxohex-5-enoxy)ethoxy]propan-2-yloxy]ethoxy]hex-1-en-3-one.

Molecular Properties

Compound Name6-[2-[2-[2-(4-oxohex-5-enoxy)ethoxy]propan-2-yloxy]ethoxy]hex-1-en-3-one
PubChem CID157489834
Molecular FormulaC19H32O6
Molecular Weight356.46 g/mol
Exact Mass356.22
IUPAC Name6-[2-[2-[2-(4-oxohex-5-enoxy)ethoxy]propan-2-yloxy]ethoxy]hex-1-en-3-one
SMILESC=CC(=O)CCCOCCOC(C)(C)OCCOCCCC(=O)C=C
InChIInChI=1S/C19H32O6/c1-5-17(20)9-7-11-22-13-15-24-19(3,4)25-16-14-23-12-8-10-18(21)6-2/h5-6H,1-2,7-16H2,3-4H3
InChIKeyBXDGWMFAJDMYDX-UHFFFAOYSA-N
XLogP2.86
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-[2-(4-Oxohex-5-enoxy)ethoxy]hex-1-en-3-one
CID 23591517
6-[2-(4-Oxohex-5-enoxymethoxymethyl)-2-(4-oxohex-5-enoxymethyl)butoxy]hex-1-en-3-one
CID 59994908
2-[2-(4-Oxohex-5-enoxy)-1-prop-2-enoyloxybutan-2-yl]oxyethyl prop-2-enoate
CID 140934845
6-[2,3-Bis(4-oxohex-5-enoxy)propoxy]hex-1-en-3-one
CID 145836958
6-[2-[1-(4-Oxohex-5-enoxy)propan-2-yloxy]ethoxy]hex-1-en-3-one
CID 148152139
6-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]hex-1-en-3-one
CID 156464947
6-[2-(4-Oxohex-5-enoxy)propan-2-yloxy]hex-1-en-3-one
CID 157996623
2-[1-(4-Oxohex-5-enoxy)-1-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate
CID 166734103
1-(2,3,3-Tributoxyoxiran-2-yl)but-3-en-2-one
CID 175020393

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-[2-(4-oxohex-5-enoxy)ethoxy]propan-2-yloxy]ethoxy]hex-1-en-3-one?
The IUPAC name of 6-[2-[2-[2-(4-oxohex-5-enoxy)ethoxy]propan-2-yloxy]ethoxy]hex-1-en-3-one (CID 157489834) is 6-[2-[2-[2-(4-oxohex-5-enoxy)ethoxy]propan-2-yloxy]ethoxy]hex-1-en-3-one.
What is the SMILES notation for 6-[2-[2-[2-(4-oxohex-5-enoxy)ethoxy]propan-2-yloxy]ethoxy]hex-1-en-3-one?
The canonical SMILES for 6-[2-[2-[2-(4-oxohex-5-enoxy)ethoxy]propan-2-yloxy]ethoxy]hex-1-en-3-one is C=CC(=O)CCCOCCOC(C)(C)OCCOCCCC(=O)C=C.
What is the InChIKey of 6-[2-[2-[2-(4-oxohex-5-enoxy)ethoxy]propan-2-yloxy]ethoxy]hex-1-en-3-one?
The InChIKey is BXDGWMFAJDMYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O6/c1-5-17(20)9-7-11-22-13-15-24-19(3,4)25-16-14-23-12-8-10-18(21)6-2/h5-6H,1-2,7-16H2,3-4H3.
What are the key properties of 6-[2-[2-[2-(4-oxohex-5-enoxy)ethoxy]propan-2-yloxy]ethoxy]hex-1-en-3-one?
6-[2-[2-[2-(4-oxohex-5-enoxy)ethoxy]propan-2-yloxy]ethoxy]hex-1-en-3-one has a molecular weight of 356.46 g/mol, XLogP of 2.86, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-[2-(4-oxohex-5-enoxy)ethoxy]propan-2-yloxy]ethoxy]hex-1-en-3-one is sourced from PubChem (CID 157489834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).